6-(1-Hydroxyethyl)-3-[(1-Oxidotetrahydro-3-Thiophenyl)Sulfanyl]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C12H15NO5S3
IUPAC Name (5s,6r)-6-[(1r)-1-hydroxyethyl]-7-oxo-3-[(1r,3s)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 349.446 g·mol−1
Heat of Formation -643.2 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 373.46 Å 3
Surface Area 319.64 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey FLSUCZWOEMTFAQ-JTUPXKGRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N