Geometry & MOs

Info

ID:

442274

PubChem CID:

135250926

Reduced:

N2S2O12C43H46 (1)

Stoich.:

A2B2C12D43E46 (1)

Weight, g/mol:

886.19336

ΔHf, kcal/mol:

-430.01

Dipole, Da:

5.16

IP(EA), eV:

 -8.36(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=O)OC)C)NC2=CC(=C(C=C2)C(C3=C(C=C(C=C3)NC4=C(C=C(C(=C4C)C(=O)OC)C)C)OC)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)OC)C

DOS

IR

Vibrations