Geometry & MOs

Info

ID:	211776
PubChem CID:	81053949
Reduced:	OSCl2N2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	290.131366
ΔH_f, kcal/mol:	0.34
Dipole, Da:	6.07
IP(EA), eV:	-8.55(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)OC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations