Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations

Abstract

In this study, the combination of Phenergan C₁₇H₂ON₂S, in which two aromatic rings are present, are attached to the rings at carbon position 5 and 13 halogens, and the changes in the asymmetric parameter, the convex constants, and the chemical displacement of the lateral carbon atoms are calculated. It shows that with the change of halogen based on the electronegativity of the fluorine atom, the contiguous constants always have the lowest values and chemical displacement in most of the carbon atoms studied.