Geometry & MOs

Info

ID:

149521

PubChem CID:

53789194

Reduced:

SO2N3C21H27 (1)

Stoich.:

AB2C3D21E27 (1)

Weight, g/mol:

551.082778

ΔHf, kcal/mol:

-36.4

Dipole, Da:

3.94

IP(EA), eV:

 -8.43(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetyl]amino]-8-oxo-3-(2H-tetrazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC=C(C1=CC=CC=C1)C2=CC(=C(C=C2)N)NS(=O)(=O)N3CCCCC3

DOS

IR

Vibrations