Molecular docking and quantum chemical calculations of 4-methoxy-{2-[3-(4-chlorophenyl)-5-(4-(propane-2-yl) PHENYL)-4, 5-dihydro-1H-pyrazol-1-yl]- 1, 3-thiazol-4-yl}phenol
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DOI: 10.1016/j.molstruc.2019.127452
Abstract: Abstract The molecular structure and spectroscopic data of 4-Methoxy-{2-[3-(4-chlorophenyl)-5-(4-(propane-2-yl) phenyl)-4, 5-dihydro-1H-pyrazole-1-yl]- 1, 3-thiazole-4-yl}phenol have been obtained from DFT (B3LYP) with 6-31G(d,p) andLanL2DZ basis set calculations. The geometry of the molecule was fully optimized, vibrational spectra… read more here.
Keywords: propane phenyl; methoxy chlorophenyl; chlorophenyl propane; molecular docking ... See more keywords