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

Molecule SVG Image

Properties Simple | Detailed

Formula C14H20N2O6S
IUPAC Name (5r,6s)-3-[(s)-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 -930.9 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 396.96 Å 3
Surface Area 336.59 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey SZSFOKCNKPUNLN-NUHDDLEISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N