Geometry & MOs

Info

ID:

228642

PubChem CID:

87565465

Reduced:

NH23C27 (1)

Stoich.:

AB23C27 (1)

Weight, g/mol:

513.00021

ΔHf, kcal/mol:

267.52

Dipole, Da:

2.0

IP(EA), eV:

 -8.78(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(5-methylthiophen-2-yl)sulfanyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(C#C)C3=CC=CC=C3.C1=CC2=C1C=C2

DOS

IR

Vibrations