3-[(2-Ammonioethyl)Sulfanyl]-6-(1-Hydroxyethyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-3-Ene-2-Carboxylate

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Formula C11H16N2O4S
IUPAC Name (2r,5r,6r)-3-(2-aminoethylsulfanyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid
Molecular Mass 272.321 g·mol−1
Heat of Formation -535.9 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 311.14 Å 3
Surface Area 281.08 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey DZZINIRDDHWAGH-OVLTXKMTSA-N
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