1-(Isopropoxycarbonyloxy)Ethyl (6R,7R)-7-[2-(2-Amino-4-Thiazolyl)-(Z)-2-(Methoxyimino)Acetamido]-3-Methoxymethyl-3-Cephem-4-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H27N5O9S2
IUPAC Name [(1r)-1-isopropoxycarbonyloxyethyl] (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 557.597 g·mol−1
Heat of Formation -1090.8 ± 16.7 kJ·mol−1
Dipole Moment 7.79 ± 1.08 D
Volume 621.86 Å 3
Surface Area 482.13 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
InChIKey LTINZAODLRIQIX-OLEGMKQCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N