3,4,7,8,10,10A-Hexahydro-2H,5H-[1,4]Thiazino[4',3':1,2]Pyrrolo[3,4-B][1,4]Thiazin-5-One
Properties
| Property | Value |
|---|---|
| Formula | C9H12N2OS2 |
| IUPAC Name | (1r)-3,12-dithia-6,9-diazatricyclo[7.4.0.02,7]tridec-2(7)-en-8-one |
| Molecular Mass | 228.334 g·mol−1 |
| Heat of Formation | -47.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.53 ± 1.08 D |
| Volume | 250.31 Å 3 |
| Surface Area | 224.99 Å 2 |
| HOMO Energy | -7.99 ± 0.55 eV |
| LUMO Energy | -0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AAFINAHKSLUCFK-LURJTMIESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |