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

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Properties Simple | Detailed

Formula C11H14N2O6S2
IUPAC Name (5r,6s)-3-(2-carbamoyloxyethylsulfanyl)-6-[(1s)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 334.369 g·mol−1
Heat of Formation -876.4 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 358.97 Å 3
Surface Area 322.27 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey LVCPLOQIOKEULU-ZVQZEWSASA-N
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