(3S)-3-[2-(Difluoromethyl)-4-Pyridinyl]-7-Fluoro-3-[3-(5-Pyrimidinyl)Phenyl]-1-Isoindolinamine

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Formula C24H18F3N5
IUPAC Name (1s,3s)-3-[2-(difluoromethyl)-4-pyridyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindolin-1-amine
Molecular Mass 433.428 g·mol−1
Heat of Formation -52.5 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 487.48 Å 3
Surface Area 398.78 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey QXKYWSDUVAJHNZ-ZEQRLZLVSA-N
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Elements H C N F