Geometry & MOs

Info

ID:	246705
PubChem CID:	103064690
Reduced:	ClOSN3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	4.9
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=C1)C(=O)NC2CCSC2)Cl

DOS

IR

Vibrations