Geometry & MOs

Info

ID:

442267

PubChem CID:

135250902

Reduced:

N2S3O9C45H54 (1)

Stoich.:

A2B3C9D45E54 (1)

Weight, g/mol:

730.238259

ΔHf, kcal/mol:

-333.58

Dipole, Da:

5.23

IP(EA), eV:

 -8.61(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2C(C)C)S(=O)(=O)O)C(C)C)C(C3=C(C=C(C=C3)NC4=C(C=C(C=C4C(C)C)S(=O)(=O)O)C(C)C)C)C5=CC=CC=C5S(=O)(=O)O

DOS

IR

Vibrations