(6R,7R)-7-[[(2E)-2-(2-Aminothiazol-4-Yl)-2-Hydroxyimino-Acetyl]Amino]-3-[(2-Methyl-5,6-Dioxo-1,2,4-Triazine-1,2-Diium-3-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H18N8O7S3++ |
| IUPAC Name | (6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1,4-dihydro-1,2,4-triazine-1,2-diium-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass | 542.569 g·mol−1 |
| Heat of Formation | -374.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.48 ± 1.08 D |
| Volume | 559.36 Å 3 |
| Surface Area | 464.96 Å 2 |
| HOMO Energy | -9.13 ± 0.55 eV |
| LUMO Energy | -1.23 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DHPQEWXDRUMGAG-KNOIRBCASA-N |
| 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 |