Spatial structure of felodipine dissolved in DMSO by 1D NOE and 2D NOESY NMR spectroscopy
作者： I.A. Khodov , M.Yu. Nikiforov , G.A. Alper , D.S. Blokhin , S.V. Efimov
DOI: 10.1016/J.MOLSTRUC.2012.11.040
关键词:
摘要: Abstract Small organic molecules in dissolved state exist as an ensemble of conformers. In this work conformation felodipine dimethyl sulphoxide was studied and dominant stable conformers were determined. Effective interatomic distances obtained by means NOE spectroscopy. Fractions different estimated comparing effective those from quantum-chemical calculation [8] ; averaging made following the N-site jump model.
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