Molecular Shape and Polarity Lab Conclusion

Molecular Shape and Polarity Lab Conclusion - receptor...

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Conclusion By comparing the formal charges, bond angles, and dipole direction for CH 3 Cl, PCl 5 , and NO 3 - that were predicted using the VSEPR model with the same variables determined using the Spartan computer program, it is seen that the results are a strong match. The bond angles and dipole direction calculated using Spartan exactly match the data obtained by use of the VSEPR model, and the partial charge data from Spartan supports the formal charge data from the VSEPR model. Spartan thus confirms the data obtained by use of VSEPR. Very low percent error values for both the length and width of the hypothetical drug molecule built in this experiment suggest that in terms of dimensions, the drug molecule would be an excellent fit for the
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Unformatted text preview: receptor molecule. The percent error values for the length and width of the other groups drug molecule are significantly higher than the percent error values calculated for my groups drug molecule. This suggests that in terms of dimensions, my groups drug molecule is more compatible with the receptor molecule. Both my groups molecule and the other groups molecule account for the slightly negative charge of the receptors oxygen atom and the slightly positive charge of the hydrogen atoms. Thus, because my groups molecule has more ideal dimensions, it is likely that my groups molecule would be the better drug candidate molecule....
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