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Title: Infrared spectroscopy of racemic and enantiomeric forms of atenolol
Authors: Castro, R. A. Esteves de 
Canotilho, João 
Barbosa, Rui M. 
Redinha, J. Simões 
Keywords: Atenolol; [beta]-Blockers; Chiral drugs; IR spectroscopy; Conformational isomorphism
Issue Date: 2007
Citation: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 67:5 (2007) 1194-1200
Abstract: The molecular structure of conformational isomorphs given by X-ray diffraction for racemic and enantiomeric atenolol were optimized at the HF/6-31G* level of theory and the infrared spectra of the structure were calculated. These spectra are used to characterize the differences between the various atenolol conformers.
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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