Geometry & MOs

Info

ID:	212261
PubChem CID:	81059949
Reduced:	SN3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	18.41
Dipole, Da:	3.88
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations