Geometry & MOs

Info

ID:	373084
PubChem CID:	131309617
Reduced:	BrSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	224.030729
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	3.92
IP(EA), eV:	-8.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-3-fluoro-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C2C=C(SC2=CC(=C1)OC)Br

DOS

IR

Vibrations