4'-[(5-{[(1S)-1-(4-Bromophenyl)Ethyl]Carbamoyl}-2,3-Dimethyl-1H-Indol-1-Yl)Methyl]-2-Biphenylcarboxylic Acid

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Formula C33H29BrN2O3
IUPAC Name 2-[4-[[5-[[(1s)-1-(4-bromophenyl)ethyl]carbamoyl]-2,3-dimethyl-indol-1-ium-1-yl]methyl]phenyl]benzoic acid
Molecular Mass 581.499 g·mol−1
Heat of Formation -166.7 ± 16.7 kJ·mol−1
Dipole Moment 7.57 ± 1.08 D
Volume 650.38 Å 3
Surface Area 538.91 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey HBMXDCXJXYASGW-NRFANRHFSA-N
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Elements H C O Br N