6-Chloro-3-{1-[{4-[(4-Chlorobenzyl)Oxy]Benzyl}(Formyl)Amino]-2-[(2-Methyl-2-Propanyl)Amino]-2-Oxoethyl}-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C30H29Cl2N3O5
IUPAC Name 3-[(1r)-2-(tert-butylamino)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl-formyl-amino]-2-oxo-ethyl]-6-chloro-indol-1-ium-2-carboxylic acid
Molecular Mass 582.474 g·mol−1
Heat of Formation -718.0 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 662.54 Å 3
Surface Area 450.72 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
InChIKey PESUUIPTWNTJKA-HHHXNRCGSA-N
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Elements H C Cl O N