| Formula |
C20H19ClN6OS |
| IUPAC Name |
6-[[4-[(3r)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7h-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]isoindol-1-one |
| Molecular Mass |
426.922 g·mol−1 |
| Heat of Formation |
300.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.56 ± 1.08 D |
| Volume |
473.48 Å 3 |
| Surface Area |
405.31 Å 2 |
| HOMO Energy |
-8.52 ± 0.55 eV |
| LUMO Energy |
1.39 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
MFHNBYVWNDLIQC-LLVKDONJSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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