Formula |
C10H13NO4S |
IUPAC Name |
(2s,5r,6z)-6-(methoxymethylene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
Molecular Mass |
243.280 g·mol−1 |
Heat of Formation |
-528.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.87 ± 1.08 D |
Volume |
277.36 Å 3 |
Surface Area |
247.88 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
-0.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s,5r,6z)-6-(methoxymethylidene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- (2s,5r,6z)-7-keto-6-(methoxymethylene)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 6-(methyoxymethylene)penicillanic acid
- 6-mmpc
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CAS Number(s) |
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InChIKey |
PRRZHIROMDJJKW-RVLTZIEQSA-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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