2',3,5'-Trifluoro-N-[(2R)-3-(1H-Indol-3-Yl)-1-Oxo-1-(4-Pyridinylamino)-2-Propanyl]-4-Biphenylcarboxamide

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Properties Simple | Detailed

Formula C29H21F3N4O2
IUPAC Name 4-(2,5-difluorophenyl)-2-fluoro-n-[(1r)-1-(2h-indol-1-ium-2-ylium-3-ylmethyl)-2-oxo-2-(4-pyridylamino)ethyl]benzamide
Molecular Mass 514.498 g·mol−1
Heat of Formation -457.7 ± 16.7 kJ·mol−1
Dipole Moment 10.03 ± 1.08 D
Volume 581.88 Å 3
Surface Area 489.03 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey AHABCZVHHYTXPC-HHHXNRCGSA-N
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Elements H C N O F