Fourier Transform Infrared Spectroscopy,Fourier Transform Raman,UV– Vis,Nuclear Magnetic Resonance, Density Functional Theory analysis on 2-[[3-methyl?4-(2,2,2-trifluoroethoxy)pyridin-2- yl]methylsulfinyl]-1H-benzimidazol

The solid phase FTIR and FT-Raman spectra of LSP have been recorded in the regions 4000- 450 and 4000-50cm-1 respectively. The assignments of the vibrational spectra have been carried out with the aid of potential energy distribution (PED). The Stability of the molecule arising from hyperconjugative interactions and charge delocalization have been analyzed using natural bond orbital (NBO) analysis. UV-visible spectrum was recorded using DMSO as solvent and its electronic properties HOMO and LOMO energies were calculated. 1H and 13C NMR chemical shift of the molecule were calculated. The Fukui function was calculated to explain the chemical reactivity site in LSP. The molecular electrostatic potential (MEP) and other molecular properties were calculated and discussed