Geometry & MOs

Info

ID:	246720
PubChem CID:	103064732
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	4.02
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-(propylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)NC2CCSC2)NCCC

DOS

IR

Vibrations