Formula |
C12H10ClN5O5S2 |
IUPAC Name |
(6r,7r)-7-[[(2e)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
403.821 g·mol−1 |
Heat of Formation |
-358.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.63 ± 1.08 D |
Volume |
407.66 Å 3 |
Surface Area |
339.46 Å 2 |
HOMO Energy |
-9.20 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CUCQDDZYZNBQFE-PTXYKUOVSA-N |
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Elements |
C
Cl
H
O
N
S
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