(6R-Trans)-3-(Acetoxymethyl)-7-((2-Aminothiazol-4-Yl)Acetamido)-8-Oxo-5-Thia-1-Azabicyclo(4.2.0)Oct-2-Ene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H16N4O6S2
IUPAC Name (6r,7s)-3-(acetoxymethyl)-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 412.441 g·mol−1
Heat of Formation -759.3 ± 16.7 kJ·mol−1
Dipole Moment 9.54 ± 1.08 D
Volume 443.5 Å 3
Surface Area 393.5 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey CIFZTJFBDLIEOW-GXFFZTMASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N