Geometry & MOs

Info

ID:

11215

PubChem CID:

111934

Reduced:

S2N6O9H26C28 (1)

Stoich.:

A2B6C9D26E28 (1)

Weight, g/mol:

654.120269

ΔHf, kcal/mol:

-180.22

Dipole, Da:

12.96

IP(EA), eV:

 -8.64(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-methoxy-4-[[2-methoxy-5-methyl-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)O)OC)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)O)OC

DOS

IR

Vibrations