4-({(2S)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1H-Benzimidazol-1-Yl]-2-Cyclohexylacetyl}Amino)-3,5-Difluorobenzoic Acid

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Properties Simple | Detailed

Formula C28H22ClF4N3O3
IUPAC Name 4-[[(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-benzimidazol-1-ium-2-ylium-1-yl]-2-cyclohexyl-acetyl]amino]-3,5-difluoro-benzoic acid
Molecular Mass 559.939 g·mol−1
Heat of Formation -986.2 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 598.89 Å 3
Surface Area 468.04 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
InChIKey MRVUTCGFXDGVGC-VWLOTQADSA-N
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Elements C Cl H F O N