Geometry & MOs

Info

ID:	212245
PubChem CID:	81059927
Reduced:	ClSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	319.090997
ΔH_f, kcal/mol:	27.55
Dipole, Da:	4.45
IP(EA), eV:	-8.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-chlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC(C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations