3-[(3-Aminopropyl)Sulfanyl]-6-(1-Hydroxyethyl)-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Formula C11H16N2O4S2
IUPAC Name (5r,6s)-3-(3-aminopropylsulfanyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 304.386 g·mol−1
Heat of Formation -535.2 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 340.62 Å 3
Surface Area 306.98 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey YOAVOLGOENHMIX-QIOHGKGESA-N
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