(6R,7S)-7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-3-(6,7-Dihydro-5H-Cyclopenta[B]Pyridinium-1-Ylmethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C22H22N6O5S2 |
IUPAC Name | (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(6,7-dihydro-5h-cyclopenta[b]pyridin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
Molecular Mass | 514.577 g·mol−1 |
Heat of Formation | 2332.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 13.03 ± 1.08 D |
Volume | 532.71 Å 3 |
Surface Area | 459.11 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | -2.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | DKOQGJHPHLTOJR-XIQHUKJWSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | S C O N |