Geometry & MOs

Info

ID:

143695

PubChem CID:

53249466

Reduced:

NaN2S2O6C25H27 (1)

Stoich.:

AB2C2D6E25F27 (1)

Weight, g/mol:

516.138879

ΔHf, kcal/mol:

-206.07

Dipole, Da:

12.79

IP(EA), eV:

 -6.92(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(Z)-[2-(ethylamino)-5-methylphenyl]-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1)C)/C(=C/2\C=CC(=NCC)C(=C2)C)/C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations