Geometry & MOs

Info

ID:	212442
PubChem CID:	81060554
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	35.67
Dipole, Da:	5.49
IP(EA), eV:	-8.98(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(4-propylanilino)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCSC

DOS

IR

Vibrations