3-[[(6R,7S)-7-Methoxy-5,5,8-Trioxo-2-(Pyrrolidine-1-Carbonyl)-5Λ6-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methylsulfanyl]-2-Methyl-1,2,4-Triazine-1,2-Diium-5,6-Dione
Properties
| Property | Value |
|---|---|
| Formula | C17H23N5O7S2++ |
| IUPAC Name | 3-[[(6r,7s)-7-methoxy-5,5,8-trioxo-2-(pyrrolidine-1-carbonyl)-5λ6-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]-2-methyl-1,4-dihydro-1,2,4-triazine-1,2-diium-5,6-dione |
| Molecular Mass | 473.524 g·mol−1 |
| Heat of Formation | -740.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.00 ± 1.08 D |
| Volume | 502.02 Å 3 |
| Surface Area | 389.47 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | 1.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KAWLXQWYBDJWFQ-MEDUHNTESA-N |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |