2-[4-[[5-[[(1S)-1-(4-Nitrophenyl)Ethyl]Carbamoyl]Indol-1-Ium-1-Yl]Methyl]Phenyl]Benzoic Acid

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Formula C31H25N3O5
IUPAC Name 2-[4-[[5-[[(1s)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-ium-1-yl]methyl]phenyl]benzoic acid
Molecular Mass 519.547 g·mol−1
Heat of Formation -122.1 ± 16.7 kJ·mol−1
Dipole Moment 8.22 ± 1.08 D
Volume 619.25 Å 3
Surface Area 509.8 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
InChIKey JIHCIAJCNWUMKM-FQEVSTJZSA-N
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