Formula |
C12H15NO5S |
IUPAC Name |
(5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
Molecular Mass |
285.316 g·mol−1 |
Heat of Formation |
-718.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.12 ± 1.08 D |
Volume |
313.81 Å 3 |
Surface Area |
277.42 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (+)-(5r,6s)-6-((1r)-1-hydroxyethyl)-7-oxo-3-((2r)-tetrahydro-2-furyl)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
- (5r,6s)-6-(1-hydroxyethyl)-7-keto-3-(tetrahydrofuryl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-2-tetrahydrofuranyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- (5r,6s)-6-(1-hydroxyethyl)-7-oxo-3-[(2r)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- fropenem
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CAS Number(s) |
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InChIKey |
HGGAKXAHAYOLDJ-FHZUQPTBSA-N |
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Elements |
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