Geometry & MOs

Info

ID:	246648
PubChem CID:	103064377
Reduced:	SN2O3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	252.056863
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	2.18
IP(EA), eV:	-8.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=NC(=CC=C2)C(=O)O

DOS

IR

Vibrations