| Formula |
C23H18N8S |
| IUPAC Name |
(e)-3-[4-[[6-(1,3-benzothiazol-5-ylamino)-7h-purin-2-yl]amino]-3,5-dimethyl-phenyl]prop-2-enenitrile |
| Molecular Mass |
438.508 g·mol−1 |
| Heat of Formation |
743.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.46 ± 1.08 D |
| Volume |
509.5 Å 3 |
| Surface Area |
446.45 Å 2 |
| HOMO Energy |
-8.60 ± 0.55 eV |
| LUMO Energy |
0.99 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
FZDPEDQCVGYRLP-ONEGZZNKSA-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
N
|
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