Geometry & MOs

Info

ID:	212246
PubChem CID:	81059928
Reduced:	ClSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	26.29
Dipole, Da:	5.03
IP(EA), eV:	-8.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[1-(2-methylphenyl)ethylamino]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations