Geometry & MOs

Info

ID:	246671
PubChem CID:	103064574
Reduced:	FNS2O4C13H14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-175.09
Dipole, Da:	0.81
IP(EA), eV:	-8.76(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NS(=O)(=O)C2=C(C=C(C=C2)/C=C/C(=O)O)F

DOS

IR

Vibrations