Molecular structure, vibrational spectra, NBO, fukui function, homo-lumo analysis and molecular docking study Of 6-[(2-methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione

Chemistry

• Binding Energy 50%
• Bond Angle 50%
• Density Functional Theory 100%
• Density of State 100%
• DFT-B3LYP Calculation 50%
• Donor 50%
• Electron Density 50%
• Electronic Property 50%
• Electrostatic Potential 50%
• Fourier Transform Infrared Spectroscopy 50%
• FT-Raman 50%
• Hyperpolarizability 50%
• Lowest Unoccupied Molecular Orbital 50%
• Molecular Structure 100%
• Natural Bond Orbital Analysis 50%
• stability 50%
• Vibrational Frequency 50%
• Vibrational Spectra 100%
• Wavenumber 50%