Geometry & MOs

Info

ID:	2039
PubChem CID:	5637
Reduced:	SN3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	380.087787
ΔH_f, kcal/mol:	122.25
Dipole, Da:	1.69
IP(EA), eV:	-8.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N

DOS

IR

Vibrations