2-Thioxo-8,9-Dihydro-7H-[1,3]Thiazino[2,3-F]Purine-1,4,6-Triium-3-Id-5-One
Properties
| Property | Value |
|---|---|
| Formula | C8H14N4OS2++ |
| IUPAC Name | (3ar,10as,10bs)-2-thioxo-1,3,3a,4,6,7,8,9,10a,10b-decahydro-[1,3]thiazino[2,3-f]purine-4,6-diium-5-one |
| Molecular Mass | 246.353 g·mol−1 |
| Heat of Formation | 127.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.46 ± 1.08 D |
| Volume | 248.91 Å 3 |
| Surface Area | 231.89 Å 2 |
| HOMO Energy | -8.12 ± 0.55 eV |
| LUMO Energy | 1.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AWDNWDQZWWCWPC-UHFFFAOYSA-P |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |