Geometry & MOs

Info

ID:	298371
PubChem CID:	117648691
Reduced:	S2N6O6C21H22 (1)
Stoich.:	A2B6C6D21E22 (1)
Weight, g/mol:	560.114789
ΔH_f, kcal/mol:	-111.92
Dipole, Da:	7.15
IP(EA), eV:	-9.13(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-[(2-methoxycarbonylphenyl)diazenyl]-3-[(3-propylsulfonylphenyl)diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=NC2=C(C(=CC(=C2N)S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCO)N

DOS

IR

Vibrations