Geometry & MOs

Info

ID:	2295
PubChem CID:	6668
Reduced:	NSO3C7H7 (2)
Stoich.:	ABC3D7E7 (2)
Weight, g/mol:	370.029329
ΔH_f, kcal/mol:	-190.1
Dipole, Da:	3.62
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

DOS

IR

Vibrations