Geometry & MOs

Info

ID:	175007
PubChem CID:	75844852
Reduced:	BrSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	266.048704
ΔH_f, kcal/mol:	-45.42
Dipole, Da:	4.71
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

DOS

IR

Vibrations