1-Acetoxyethyl (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Hydroxyimino)Acetyl]Amino}-8-Oxo-3-[(1Z)-1-Propen-1-Yl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H21N5O7S2
IUPAC Name [(1r)-1-acetoxyethyl] (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-[(z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 495.529 g·mol−1
Heat of Formation -649.9 ± 16.7 kJ·mol−1
Dipole Moment 8.20 ± 1.08 D
Volume 541.5 Å 3
Surface Area 447.52 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey KNNUUKGCYYHKDF-WULPXVJUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N