Geometry & MOs

Info

ID:	246672
PubChem CID:	103064579
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	225.045964
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	2.9
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=C1C(=O)O)C)C2CCSC2

DOS

IR

Vibrations