Spectroscopic characterization, docking {studies|research} and reactive properties by DFT calculations of halogen substituted 6-Chloro-N-(3-iodo-4-methylphenyl)-pyrazine-2-carboxamide with MD simulations.
The spectral characterization of 6-Chloro-N-(3-iodo-4-methylphenyl)-pyrazine-2-carboxamide (CIMPPC) was executed by FT-IR and FT-Raman spectroscopic {methods|techniques|strategies|approaches|procedures|solutions} and density functional theory (DFT) computations {have been|happen to be|have already been} carried {using|utilizing|making use of|employing|working…