(5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-{[(1R,3S)-1-Oxidotetrahydro-3-Thiophenyl]Sulfanyl}-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H15NO5S3
IUPAC Name (5r,6s)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(1r,3s)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 349.446 g·mol−1
Heat of Formation -642.2 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 374.54 Å 3
Surface Area 321.6 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • cp-65207-s
  • cp-70429
InChIKey FLSUCZWOEMTFAQ-PRBGKLEPSA-N
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