3-{3-[(6-Bromo-2-Oxo-2,3-Dihydro-1H-Indol-4-Yl)Methyl]-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl}Hexanoic Acid

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Properties Simple | Detailed

Formula C22H22BrN3O4
IUPAC Name (3s)-3-[3-[(6-bromo-2-oxo-indolin-4-yl)methyl]-2-oxo-benzimidazole-1,3-diium-1-yl]hexanoic acid
Molecular Mass 472.332 g·mol−1
Heat of Formation -571.9 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 500.01 Å 3
Surface Area 391.62 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey HGSJUJNYFCUFGB-HNNXBMFYSA-N
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Elements H C Br O N