Formula |
C21H15F2N3O4 |
IUPAC Name |
(e)-3-[3-[2-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-fluoro-phenoxy]-5-fluoro-phenyl]prop-2-enenitrile |
Molecular Mass |
411.358 g·mol−1 |
Heat of Formation |
-626.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.02 ± 1.08 D |
Volume |
456.92 Å 3 |
Surface Area |
380.14 Å 2 |
HOMO Energy |
-9.72 ± 0.55 eV |
LUMO Energy |
1.57 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
USRHSVZSPKDGMT-OWOJBTEDSA-P |
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Elements |
H
C
F
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N
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