Geometry & MOs

Info

ID:	175009
PubChem CID:	75845387
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	278.048704
ΔH_f, kcal/mol:	-139.49
Dipole, Da:	5.8
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-cyclopropyl-5-ethoxycarbonyl-6-oxo-3aH-thieno[2,3-b]pyridin-4-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(=C(SC2=NC1=O)C)C)O

DOS

IR

Vibrations