Formula |
C11H16N2O4S |
IUPAC Name |
(5r,6s)-3-(2-aminoethylsulfanyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
Molecular Mass |
272.321 g·mol−1 |
Heat of Formation |
-545.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.84 ± 1.08 D |
Volume |
315.66 Å 3 |
Surface Area |
280.22 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-0.93 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (5r,6s)-3-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6s)-3-(2-aminoethylthio)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6s)-3-(2-aminoethylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
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InChIKey |
WKDDRNSBRWANNC-ATRFCDNQSA-N |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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