Geometry & MOs

Info

ID:

10853

PubChem CID:

108527

Reduced:

S3N4O11C20H22 (1)

Stoich.:

A3B4C11D20E22 (1)

Weight, g/mol:

590.044721

ΔHf, kcal/mol:

-319.56

Dipole, Da:

10.81

IP(EA), eV:

 -9.53(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

DOS

IR

Vibrations