Geometry & MOs

Info

ID:

8839

PubChem CID:

82363

Reduced:

S2N6O9H24C27 (1)

Stoich.:

A2B6C9D24E27 (1)

Weight, g/mol:

640.104619

ΔHf, kcal/mol:

-171.37

Dipole, Da:

9.32

IP(EA), eV:

 -8.66(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)O)OC

DOS

IR

Vibrations