| Formula |
C20H22F2N6O |
| IUPAC Name |
n-[[(3s)-3-amino-1-(5-ethyl-7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluoro-benzamide |
| Molecular Mass |
400.425 g·mol−1 |
| Heat of Formation |
-270.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.16 ± 1.08 D |
| Volume |
459.81 Å 3 |
| Surface Area |
388.28 Å 2 |
| HOMO Energy |
-8.67 ± 0.55 eV |
| LUMO Energy |
2.04 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
MOZRQQTUYAYCQT-FQEVSTJZSA-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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