(2-Acetamidoethyl)[(5R,6R)-2-Carboxy-6-(2-Hydroxy-2-Propanyl)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-En-3-Yl]Sulfoniumolate

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Properties Simple | Detailed

Formula C14H20N2O6S
IUPAC Name (5r,6s)-3-[(r)-2-acetamidoethylsulfinyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 344.383 g·mol−1
Heat of Formation -937.4 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 393.38 Å 3
Surface Area 325.35 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey SZSFOKCNKPUNLN-ORXUAUJHSA-N
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