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

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16N2O4S
IUPAC Name (5s,6r)-3-(2-aminoethylsulfanyl)-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 272.321 g·mol−1
Heat of Formation -547.9 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 318.48 Å 3
Surface Area 282.79 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
InChIKey WKDDRNSBRWANNC-CHKWXVPMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N