Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

Isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) techniques. Hirshfeld surface and topological analyses were conducted to study structural and molecular properties. The energy gap (Eg),...

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Bibliographic Details
Main Authors: Arulraj Ramalingam, Murugavel Kuppusamy, Sivakumar Sambandam, Mouna Medimagh, Oluwatoba Emmanuel Oyeneyin, Amirthaganesan Shanmugasundaram, Noureddine Issaoui, Nathanael Damilare Ojo
Format: Article
Language:English
Published: Elsevier 2022-10-01
Series:Heliyon
Subjects:
Tetrahydropyridine-3-carboxylate
Density functional theory
Severe acute respiratory syndrome-coronavirus disease
Hirshfeld surface analysis
Topological analysis
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844022021193

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http://www.sciencedirect.com/science/article/pii/S2405844022021193

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