Geometry & MOs

Info

ID:	13607
PubChem CID:	395920
Reduced:	ClSN5H12C19 (1)
Stoich.:	ABC5D12E19 (1)
Weight, g/mol:	377.050194
ΔH_f, kcal/mol:	131.59
Dipole, Da:	4.01
IP(EA), eV:	-8.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(2-aminophenyl)sulfanyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N

DOS

IR

Vibrations