N-{3-[(4S)-2-Amino-4-(Difluoromethyl)-5,6-Dihydro-4H-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyano-2-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C18H14F3N5O2
IUPAC Name n-[3-[(4s)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoro-phenyl]-5-cyano-pyridine-2-carboxamide
Molecular Mass 389.331 g·mol−1
Heat of Formation -497.5 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 412.51 Å 3
Surface Area 369.14 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.17 ± eV
Point Group Symmetry C1
InChIKey ZQBDXEARYNLKKR-SFHVURJKSA-N
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