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Quantum substance calculations, functionality associated with picky anti-microbial exercise employing molecular docking investigation, RDG along with trial and error (FT-IR, FT-Raman) study involving 4-[2-[3-(4-chlorophenyl)-5-(4-propan-2-yl) phenyl)-4, 5-dihydro- 1H- pyrazol-1-yl]-4-oxo-1, 3- thiazol-5(4H)-ylidene methyl] benzonitrile.
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