7-{[(2-Amino-1,3-Thiazol-4-Yl)Acetyl]Amino}-3-[({1-[2-(Dimethylamino)Ethyl]-1H-Tetrazol-5-Yl}Sulfanyl)Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-3-Ene-2-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H23N9O4S3 |
| IUPAC Name | (2r,6r,7s)-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid |
| Molecular Mass | 525.628 g·mol−1 |
| Heat of Formation | -77.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.89 ± 1.08 D |
| Volume | 589.87 Å 3 |
| Surface Area | 478.18 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | -1.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DTZXOJSIJQTTJR-GZBFAFLISA-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 |