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

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Properties Simple | Detailed

Formula C19H14F5N5O2
IUPAC Name n-[3-[(4s,6s)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoro-phenyl]-5-cyano-pyridine-2-carboxamide
Molecular Mass 439.339 g·mol−1
Heat of Formation -946.9 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 451.94 Å 3
Surface Area 398.76 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.93 ± eV
Point Group Symmetry C1
InChIKey QCMXWFUAVCHHIA-MAUKXSAKSA-N
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