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

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Properties Simple | Detailed

Formula C28H23ClF3N3O3
IUPAC Name 4-[[(2s)-2-[2-(4-chlorophenyl)-5,6-difluoro-benzimidazol-1-ium-2-ylium-1-yl]-2-cyclohexyl-acetyl]amino]-3-fluoro-benzoic acid
Molecular Mass 541.949 g·mol−1
Heat of Formation -814.5 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 588.92 Å 3
Surface Area 463.61 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey DGVNGMXASUNRAO-VWLOTQADSA-N
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Elements C Cl H F O N