Geometry & MOs

Info

ID:

180209

PubChem CID:

76596713

Reduced:

SN4O4C10H20 (1)

Stoich.:

AB4C4D10E20 (1)

Weight, g/mol:

606.063241

ΔHf, kcal/mol:

-167.09

Dipole, Da:

7.24

IP(EA), eV:

 -9.25(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(1-carboxyethoxyimino)acetyl]amino]-8-oxo-3-(1H-pyrrolo[3,2-c]pyridin-5-ium-5-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)N1CCC(C1)NS(=O)(=O)N2CCOCC2

DOS

IR

Vibrations