computational survey on the effect of changes in halogenated compounds on the structural properties in chlorpromazine

computational survey on the effect of changes in halogenated compounds on the structural properties in chlorpromazine

in this study, on the combination of chlorpromazine with two aromatic rings, halogens are attached to the rings, and changes in the angles and lengths of the ipsos are calculated. calculations show that by changing the halogen based on the amount of electronegativity, the magnitude and variation of the angular lengths the lengths of the links also change in the following order. the angles of the ipso mode: rf <r-cl <r-br. in addition, the length of the bonds in c5-c4: r-f <r-br <r-cl and the length of the c5-c6: r-f <r-cl <r-br. similarly, bipolar moments changes in states where the halide is connected to two loops and into a loop. calculations show that by varying the halogen based on the electronegativity and the factor occupancy, the bipolar momentum changes as follows. pro + 2f> pro + 2cl> pro + 2br> pro + f> pro + cl> pro + br> chlorpromazine