FT-IR, Raman, and NMR Spectroscopy and DFT Theory of Glimepiride Molecule as a Sulfonylurea Compound

Abstract

The glimepiride molecule was experimentally characterized using vibrational (FT-IR and laser-Raman) and NMR chemical shift spectroscopy. The molecule optimized structure, vibrational wavenumbers, and H-1 and C-13 NMR isotropic chemical shifts were theoretically obtained with the DFT/B3LYP method at a 6-311++G(d,p) basis set. The theoretical geometric parameters, vibrational wavenumbers, and NMR che mical shifts were found to be consistent with experimental data and similar spectral results in the literature.