The analyses of solvent effects on infrared spectra and thermodynamic parameters, Hirshfeld surface, reduced density gradient and molecular docking of ketoprofen as a member of nonsteroidal anti-inflammatory drugs

•The structural analysis using DFT method of ketoprofen in monomer and dimer forms.•The analyses of solvent effects on experimentally and theoretically infrared spectra.•The calculation of thermodynamic parameters of ketoprofen at different temperatures.•Hirshfeld surface and RDG analyses for intermolecular interactions.•The investigation of ketoprofen binding to HSA via molecular docking studies.