Geometry & MOs

Info

ID:	246733
PubChem CID:	103064750
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	7.66
IP(EA), eV:	-8.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations