3-{[(E)-2-Acetamidovinyl]Sulfanyl}-6-Isopropyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Formula C14H18N2O4S
IUPAC Name (5s,6s)-3-[(e)-2-acetamidovinyl]sulfanyl-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 310.369 g·mol−1
Heat of Formation -549.8 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 365.93 Å 3
Surface Area 332.83 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey LMCMRDZMDLAQJY-JOEPOWSHSA-N
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