Geometry & MOs

Info

ID:	373459
PubChem CID:	131315643
Reduced:	SO2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	223.030314
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	7.62
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-6-oxo-5H-thieno[2,3-b]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C2=C(SC=N2)C(=O)O

DOS

IR

Vibrations