Geometry & MOs

Info

ID:

9585

PubChem CID:

91225

Reduced:

S2N4O8H20C23 (1)

Stoich.:

A2B4C8D20E23 (1)

Weight, g/mol:

544.072256

ΔHf, kcal/mol:

-189.31

Dipole, Da:

14.82

IP(EA), eV:

 -9.1(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C

DOS

IR

Vibrations