6-(2,4-Cyclohexadien-1-Ylmethyl)-7-Thia-2,4-Diazabicyclo[4.1.0]Hepta-1,3-Dien-5-One
Properties
| Property | Value |
|---|---|
| Formula | C11H10N2OS |
| IUPAC Name | (6r)-6-[[(1r)-cyclohexa-2,4-dien-1-yl]methyl]-7-thia-2,4-diazabicyclo[4.1.0]hepta-1,3-dien-5-one |
| Molecular Mass | 218.275 g·mol−1 |
| Heat of Formation | 364.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.81 ± 1.08 D |
| Volume | 251.16 Å 3 |
| Surface Area | 221.66 Å 2 |
| HOMO Energy | -9.29 ± 0.55 eV |
| LUMO Energy | -1.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HVSIKZCKLATJAR-KCJUWKMLSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |