Geometry & MOs

Info

ID:	373085
PubChem CID:	131309642
Reduced:	FSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	224.030729
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	6.28
IP(EA), eV:	-8.63(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-4-fluoro-1-benzothiophene-7-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=C1)SC=C2F)C=O

DOS

IR

Vibrations