| Formula |
C13H16N2O8S2 |
| IUPAC Name |
(5r,6r)-3-[(e)-2-acetamidovinyl]sulfanyl-7-oxo-6-[(1s)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
| Molecular Mass |
392.405 g·mol−1 |
| Heat of Formation |
-1221.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.81 ± 1.08 D |
| Volume |
409.96 Å 3 |
| Surface Area |
344.56 Å 2 |
| HOMO Energy |
-8.24 ± 0.55 eV |
| LUMO Energy |
-0.90 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (5r,6r)-3-[(e)-2-acetamidoethenyl]sulfanyl-7-oxo-6-[(1s)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6r)-3-[(e)-2-acetamidovinyl]sulfanyl-7-oxo-6-[(1s)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6r)-3-[[(e)-2-acetamidovinyl]thio]-7-keto-6-[(1s)-1-sulfoxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6r)-3-[[(e)-2-acetamidovinyl]thio]-7-oxo-6-[(1s)-1-sulfooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- mm13902
|
| InChIKey |
FQQFFZPBGYGDSX-NJFHWYBASA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
|
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