Geometry & MOs

Info

ID:

149989

PubChem CID:

53789672

Reduced:

SN2O4C11H16 (1)

Stoich.:

AB2C4D11E16 (1)

Weight, g/mol:

744.126811

ΔHf, kcal/mol:

-144.33

Dipole, Da:

6.63

IP(EA), eV:

 -9.78(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[(3-ethoxycarbonyl-6,7-dioxo-1,4-dihydroquinoxaline-2-carbonyl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)NC(CN)C(=O)OC

DOS

IR

Vibrations