Determination of Preferred Conformations of Mefenamic Acid in DMSO by NMR Spectroscopy and GIAO Calculation

摘要

The paper is dedicated to preferred conformations of mefenamic acid in DMSO. A complex approach based on NME experiments and GIAO quantum chemical calculations was applied to reveal the dominant conformation of the mefenamic acid molecule (2-[(2,3-dimethylphenyl)amino]benzoic acid). Unlike the nuclear Overhauser effect measurements, this method is fast and provides qualitative information on preferred conformations of small molecules in solutions. Obtained results agree well with the X-ray investigation data.