Computational study and Physical Properties of some of the quinolones

In this report, the Molecular Structure, and some Geometrical properties (Bond lengths and Bondangles) some of the quinolones such as Cinoxacin, Nalidixic acid, Oxolinic acid, Piromidic acid,Pipemidic acid, Rosoxacin were investigated using the Density Functional Theory (DFT) andcalculations. The theoretical results are in good agreement with experimental data. Beside some ofthe physical properties such as Free Energy Solvation , Mulliken Charges, Dipole moment andHOMO-LUMO gap (HLG) were calculated. We also calculated chemical shifts of them at samelevels and basis sets.