Geometry & MOs

Info

ID:

8838

PubChem CID:

82362

Reduced:

Na2S2N6O9H22C27 (1)

Stoich.:

A2B2C6D9E22F27 (1)

Weight, g/mol:

684.068507

ΔHf, kcal/mol:

-154.78

Dipole, Da:

25.03

IP(EA), eV:

 -8.38(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3-[[3-methoxy-4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate

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.[Na+].[Na+]

DOS

IR

Vibrations