Geometry & MOs

Info

ID:	212571
PubChem CID:	81061045
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	-0.33
Dipole, Da:	4.36
IP(EA), eV:	-8.39(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-ethyl-2-methylanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations