Geometry & MOs

Info

ID:	298363
PubChem CID:	117648672
Reduced:	FO2S2H19C28 (1)
Stoich.:	AB2C2D19E28 (1)
Weight, g/mol:	482.137239
ΔH_f, kcal/mol:	3.32
Dipole, Da:	1.15
IP(EA), eV:	-8.94(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-[(2-ethoxycarbonylphenyl)diazenyl]-3-[(2-methylphenyl)diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C=CC(=O)SC1=CC=C(C=C1)C2=CC=CC3=C2C=CC=C3C4=CC(=C(C=C4)SC(=O)C=C)F

DOS

IR

Vibrations