Geometry & MOs

Info

ID:	246732
PubChem CID:	103064749
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	3.88
IP(EA), eV:	-8.68(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NC2CCSC2)NCC

DOS

IR

Vibrations