| Formula |
C22H21FN6O4S |
| IUPAC Name |
2-fluoro-6-[[2-[2-methoxy-4-(methylsulfonylmethyl)anilino]pyrrolo[2,3-d]pyrimidin-7-ium-3-id-4-yl]amino]benzamide |
| Molecular Mass |
484.503 g·mol−1 |
| Heat of Formation |
-430.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.11 ± 1.08 D |
| Volume |
525.41 Å 3 |
| Surface Area |
465.23 Å 2 |
| HOMO Energy |
-8.16 ± 0.55 eV |
| LUMO Energy |
-0.70 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
VGYXXQRDIVRILX-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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