Geometry & MOs

Info

ID:	212346
PubChem CID:	81060234
Reduced:	SN3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	291.059696
ΔH_f, kcal/mol:	47.97
Dipole, Da:	5.97
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloroanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(C)CC2=CC=CC=C2

DOS

IR

Vibrations