Geometry & MOs

Info

ID:	212371
PubChem CID:	81060290
Reduced:	ClSN3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	319.090997
ΔH_f, kcal/mol:	67.46
Dipole, Da:	3.76
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC2=CC=C(S2)Cl

DOS

IR

Vibrations