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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Elements |
H
C
F
O
N
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