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

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Properties Simple | Detailed

Formula C29H22F2N4O2
IUPAC Name 2-fluoro-4-(3-fluorophenyl)-n-[(1r)-1-(2h-indol-1-ium-2-ylium-3-ylmethyl)-2-oxo-2-(4-pyridylamino)ethyl]benzamide
Molecular Mass 496.507 g·mol−1
Heat of Formation -272.1 ± 16.7 kJ·mol−1
Dipole Moment 9.01 ± 1.08 D
Volume 574.9 Å 3
Surface Area 475.5 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey QLYGOABRPGBQNG-HHHXNRCGSA-N
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Elements H C N O F