| Formula |
C16H17N7O2S |
| IUPAC Name |
2-[1-ethylsulfonyl-3-[4-(5h-pyrrolo[2,3-d]pyrimidin-7-ium-5-id-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile |
| Molecular Mass |
371.417 g·mol−1 |
| Heat of Formation |
305.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.08 ± 1.08 D |
| Volume |
419.02 Å 3 |
| Surface Area |
362.93 Å 2 |
| HOMO Energy |
-9.18 ± 0.55 eV |
| LUMO Energy |
1.95 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
XUZMWHLSFXCVMG-UHFFFAOYSA-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
S
O
N
|
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