3-{1-[3-(4-Biphenylylamino)-3-Oxopropyl]-1H-1,2,3-Triazol-4-Yl}-6-Hydroxy-1-Methyl-2-Phenyl-1H-Indole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C33H27N5O4
IUPAC Name 6-hydroxy-1-methyl-3-[1-[3-oxo-3-(4-phenylanilino)propyl]-3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-4-yl]-2-phenyl-indole-5-carboxylic acid
Molecular Mass 557.599 g·mol−1
Heat of Formation -61.1 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 644.99 Å 3
Surface Area 562.09 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey RATFAFAWIWHLMR-UHFFFAOYSA-N
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