Geometry & MOs

Info

ID:	246647
PubChem CID:	103064365
Reduced:	N2S2O3C9H12 (1)
Stoich.:	A2B2C3D9E12 (1)
Weight, g/mol:	252.056863
ΔH_f, kcal/mol:	-96.52
Dipole, Da:	9.79
IP(EA), eV:	-8.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(thiolan-3-ylcarbamoyl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NS(=O)(=O)C2=CNC=CC2=O

DOS

IR

Vibrations