3,4-Dimethyl-5-[2-[(Z)-(4-Piperazin-1-Ylcyclohexa-2,4-Dien-1-Ylidene)Amino]Pyrimidin-4-Yl]Thiazole-1,3-Diium-2-One
Properties
| Property | Value |
|---|---|
| Formula | C19H22N6OS |
| IUPAC Name | 3,4-dimethyl-5-[2-[(z)-(4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)amino]pyrimidin-4-yl]thiazole-1,3-diium-2-one |
| Molecular Mass | 382.483 g·mol−1 |
| Heat of Formation | 269.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.12 ± 1.08 D |
| Volume | 448.12 Å 3 |
| Surface Area | 391.28 Å 2 |
| HOMO Energy | -8.62 ± 0.55 eV |
| LUMO Energy | 2.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SNCJEJRBHBIGKH-HYARGMPZSA-N |
| QR Code | Generate QR Code |
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| Elements | H C S O N |