| Formula |
C8H12N2O3S |
| IUPAC Name |
(2r,5s,6r)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Mass |
216.257 g·mol−1 |
| Heat of Formation |
-437.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.14 ± 1.08 D |
| Volume |
243.93 Å 3 |
| Surface Area |
216.8 Å 2 |
| HOMO Energy |
-9.11 ± 0.55 eV |
| LUMO Energy |
2.37 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r,5s,6r)-6-ammonio-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- (2r,5s,6r)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
|
| InChIKey |
NGHVIOIJCVXTGV-KODRXGBYSA-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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