Geometry & MOs

Info

ID:	246704
PubChem CID:	103064685
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	285.070261
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	6.73
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(ethylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC1=C(C=NC=C1)C(=O)NC2CCSC2

DOS

IR

Vibrations