Geometry & MOs

Info

ID:

150468

PubChem CID:

53790158

Reduced:

NCl2O3H21C23 (1)

Stoich.:

AB2C3D21E23 (1)

Weight, g/mol:

520.119875

ΔHf, kcal/mol:

-32.05

Dipole, Da:

3.98

IP(EA), eV:

 -9.35(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-3-[1-carboxy-2-(2H-tetrazol-5-ylsulfanyl)propan-2-yl]-7-(2-cyclohexa-1,4-dien-1-ylpropanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C=C(Cl)Cl)C(C1CC1)(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations