Geometry & MOs

Info

ID:	246713
PubChem CID:	103064708
Reduced:	ClOSN3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	3.85
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC(=NC=C2Cl)N

DOS

IR

Vibrations