Geometry & MOs

Info

ID:	12261
PubChem CID:	133639
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	2.99
IP(EA), eV:	-9.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(2-oxothiolan-3-yl)-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CSC(=O)C1NC(=O)C2=CNC(=O)C=C2

DOS

IR

Vibrations