(2R,3R)-4-[(2R)-2-(3-Chlorophenyl)-1-Pyrrolidinyl]-2,3-Dihydroxy-4-Oxo-N-[(5-{[2-(Trifluoromethyl)-1H-Benzimidazol-1-Yl]Methyl}-2-Thienyl)Methyl]Butanamide

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Properties Simple | Detailed

Formula C28H26ClF3N4O4S
IUPAC Name (2r,3r)-4-[(2r)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-n-[[5-[[2-(trifluoromethyl)-7h-benzimidazol-1-ium-7-id-1-yl]methyl]-2-thienyl]methyl]butanamide
Molecular Mass 607.044 g·mol−1
Heat of Formation -978.1 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 660.52 Å 3
Surface Area 536.43 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey JSNHRUZOJTYCCL-GMKZXUHWSA-N
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Elements C Cl H F O N S