Geometry & MOs

Info

ID:

442268

PubChem CID:

135250908

Reduced:

N2S2O8C39H42 (1)

Stoich.:

A2B2C8D39E42 (1)

Weight, g/mol:

762.228088

ΔHf, kcal/mol:

-262.2

Dipole, Da:

6.72

IP(EA), eV:

 -8.2(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[bis[2-methoxy-4-(4-methoxy-2,6-dimethylanilino)phenyl]methyl]benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC2=CC(=C(C=C2)C(C3=C(C=C(C=C3)NC4=C(C=C(C=C4C)C)C)OC)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)OC)C

DOS

IR

Vibrations