Geometry & MOs

Info

ID:

218691

PubChem CID:

85089812

Reduced:

SO6N8H16C20 (1)

Stoich.:

AB6C8D16E20 (1)

Weight, g/mol:

496.083489

ΔHf, kcal/mol:

-31.95

Dipole, Da:

4.07

IP(EA), eV:

 -9.14(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(pyrrolidine-1-carbonyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)OCC3=NC4C(=NC(=NC4=O)N)N=C3)S(=O)(=O)N

DOS

IR

Vibrations