Investigation on vibrational spectral activity and theoreticalcomputation of an anticancer drug 1-(p-toluenesulfonyl) imidazole

Vibrational spectral investigation and DFT computation have been performed on the anticancer drug 1-(p- toluenesulfonyl) imidazole (1PTSI). The structural parameters, intermolecular interactions and vibrational wavenumbers of the title molecule have been analysed with the help of B3LYP method. A det...

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Bibliographische Detailangaben

Hauptverfasser:	Sheeba, G. Golding, Usha, D., Amalanathan, M., Benham, A., Kastro, G. Gaswin, Daniel, D. David Philip
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	Biological activity Cancer Electron transport Energy distribution Energy gap Imidazole Molecular orbitals Potential energy Raman spectra
Online-Zugang:	Volltext
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