A study of the effects of solvent on structural and conformational properties of ranitidine tautomer forms by DFT method

Ranitidine is in a class of medications called H2 blockers. It decreases the amount of acid made in the stomach. It is commonly used in treatment of peptic ulcer disease (PUD) and gastro-esophageal reflux disease (GERD). In this study, the ranitidine’s tautomers stability, structural data, HOMO, LUMO orbitals (energies and shapes), ΔΕHOMO–LUMO gaps, UV–visible data and graphs, dipole moments, Mulliken charges, thermodynamic and kinetic stabilities in aqueous media as a biological solvent, and some of the different media (vacuum, H2O, Et-OH and DMSO) were investigated for tautomers of ranitidine by the density functional theory (DFT) B3LYP/6-31G** method.