Geometry & MOs

Info

ID:	175008
PubChem CID:	75845386
Reduced:	NSO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	267.056529
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	14.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791018
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-hydroxy-2,3-dimethyl-6-oxo-3aH-thieno[2,3-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=C(SC2=NC1=O)C)C)[O-]

DOS

IR

Vibrations