1-{[(6R,7R)-7-{[(2Z)-2-(5-Amino-1,2,4-Thiadiazol-3-Yl)-2-(Methoxyimino)Acetyl]Amino}-2-Carboxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}-4-Carbamoyl(3-~14~C)-1-Azoniabicyclo[2.2.2]Octane

Molecule SVG Image

Properties Simple | Detailed

Formula C21H27N8O6S2+
IUPAC Name (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-[(4-carbamoylquinuclidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 551.619 g·mol−1
Heat of Formation -293.2 ± 16.7 kJ·mol−1
Dipole Moment 12.20 ± 1.08 D
Volume 595.96 Å 3
Surface Area 485.44 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey JUVHVMCKLDZLGN-TZQXVUAQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N