Geometry & MOs

Info

ID:	212454
PubChem CID:	81060584
Reduced:	SN3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	258.093918
ΔH_f, kcal/mol:	-3.15
Dipole, Da:	4.12
IP(EA), eV:	-8.52(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(pyridin-3-ylamino)pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2CCCCC2

DOS

IR

Vibrations