Geometry & MOs

Info

ID:

442269

PubChem CID:

135250914

Reduced:

N2S2O10C39H42 (1)

Stoich.:

A2B2C10D39E42 (1)

Weight, g/mol:

784.260057

ΔHf, kcal/mol:

-325.1

Dipole, Da:

10.78

IP(EA), eV:

 -8.26(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC2=CC(=C(C=C2)C(C3=C(C=C(C=C3)NC4=C(C=C(C=C4C)OC)C)OC)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)OC)C)OC

DOS

IR

Vibrations