Geometry & MOs

Info

ID:	14504
PubChem CID:	413380
Reduced:	SN3O3C8H8 (2)
Stoich.:	AB3C3D8E8 (2)
Weight, g/mol:	452.057275
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	7.62
IP(EA), eV:	-9.18(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[1,2-diamino-2-[(2-sulfophenyl)methylidenehydrazinylidene]ethylidene]hydrazinylidene]methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NN=C(C(=NN=CC2=CC=CC=C2S(=O)(=O)O)N)N)S(=O)(=O)O

DOS

IR

Vibrations