| Formula |
C21H14F4N6O2+ |
| IUPAC Name |
1-[4-(4-amino-5-oxo-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-8-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea |
| Molecular Mass |
458.368 g·mol−1 |
| Heat of Formation |
-761.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.46 ± 1.08 D |
| Volume |
466.2 Å 3 |
| Surface Area |
420.08 Å 2 |
| HOMO Energy |
-9.05 ± 0.55 eV |
| LUMO Energy |
1.87 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PCLUNNWWXGBJHP-UHFFFAOYSA-O |
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| DOI |
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|
| Elements |
H
C
F
O
N
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