Geometry & MOs

Info

ID:	144987
PubChem CID:	53445595
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-82.87
Dipole, Da:	5.99
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C2=CNC(=O)C=C2C(=O)O

DOS

IR

Vibrations