Geometry & MOs

Info

ID:	246734
PubChem CID:	103064751
Reduced:	OSN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	265.124883
ΔH_f, kcal/mol:	-17.49
Dipole, Da:	1.54
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(propylamino)-N-(thiolan-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=CN=C1)C(=O)NC2CCSC2

DOS

IR

Vibrations