Geometry & MOs

Info

ID:	298380
PubChem CID:	117648732
Reduced:	OSH10C12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	566.104225
ΔH_f, kcal/mol:	9.41
Dipole, Da:	0.23
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-3-[(2-benzylphenyl)diazenyl]-5-[(2-sulfophenyl)diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(C3=CC=CC=C32)SC(=O)C=C)SC(=O)C(=C)C

DOS

IR

Vibrations