| Formula |
C27H22F4N4O3 |
| IUPAC Name |
(2s)-3-[4-[2-amino-6-[(1r)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]-2-azaniumyl-propanoate |
| Molecular Mass |
526.482 g·mol−1 |
| Heat of Formation |
-988.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.20 ± 1.08 D |
| Volume |
580.05 Å 3 |
| Surface Area |
508.4 Å 2 |
| HOMO Energy |
-9.38 ± 0.55 eV |
| LUMO Energy |
-1.05 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
JZWUKILTKYJLCN-XUZZJYLKSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
F
O
N
|
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