Formula |
C15H14N8O5S4 |
IUPAC Name |
(6r,7r)-7-[[(2z,3z)-3-cyanoimino-2-hydroxyimino-4-thioxo-butanoyl]amino]-3-[[(z)-isocyanoazo]methylsulfanylmethylsulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
514.582 g·mol−1 |
Heat of Formation |
-12.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.85 ± 1.08 D |
Volume |
529.17 Å 3 |
Surface Area |
444.45 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
-1.10 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxo-3-(2h-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[(2z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-[(2h-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[(2h-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-(2h-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
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InChIKey |
UEQVTKSAEXANEZ-YCRCPZNHSA-N |
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Elements |
H
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N
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