Geometry & MOs

Info

ID:	10232
PubChem CID:	99139
Reduced:	ClN2O3S3C10H13 (1)
Stoich.:	AB2C3D3E10F13 (1)
Weight, g/mol:	339.977684
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	3.36
IP(EA), eV:	-8.52(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylsulfanyl]-4-chlorobenzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCCN=C(CSS(=O)(=O)O)N)Cl

DOS

IR

Vibrations