Formula |
C22H22N6O7S2 |
IUPAC Name |
(6s,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-(1-carboxy-1-methyl-ethoxy)imino-acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
Molecular Mass |
546.576 g·mol−1 |
Heat of Formation |
-451.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
14.68 ± 1.08 D |
Volume |
596.67 Å 3 |
Surface Area |
491.02 Å 2 |
HOMO Energy |
-8.39 ± 0.55 eV |
LUMO Energy |
-1.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ORFOPKXBNMVMKC-HOOSBNCKSA-N |
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Elements |
H
S
C
O
N
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