(+)-Thienamycin

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Properties Simple | Detailed

Formula C11H16N2O4S
IUPAC Name (5r,6s)-3-(2-aminoethylsulfanyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 272.321 g·mol−1
Heat of Formation -545.8 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 315.66 Å 3
Surface Area 280.22 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6s)-3-(2-aminoethylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-3-(2-aminoethylthio)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (5r,6s)-3-(2-aminoethylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
InChIKey WKDDRNSBRWANNC-ATRFCDNQSA-N
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