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

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Properties Simple | Detailed

Formula C18H13F4N5O2
IUPAC Name n-[3-[(4s)-2-amino-5,5-difluoro-4-(fluoromethyl)-6h-1,3-oxazin-4-yl]-4-fluoro-phenyl]-5-cyano-pyridine-2-carboxamide
Molecular Mass 407.322 g·mol−1
Heat of Formation -678.2 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 420.35 Å 3
Surface Area 369.06 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
InChIKey OIFTUNMTFHXWBX-QGZVFWFLSA-N
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