FT-IR, FT-Raman and quantum chemical calculations of (E)-N-carbamimidoyl-4-((3,4-dimethoxybenzylidene) amino) benzenesulfonamide

► FT-IR and FT-Raman spectra of the title compound were recorded and analyzed. ► The wavenumbers are calculated theoretically using Gaussian03 software. ► The title compound is an attractive object for further studies on non-linear optics. ► Potential energy surface scan studies have been carried out to understand the stability of planar and non planar structures of the molecule.