Geometry & MOs

Info

ID:	374838
PubChem CID:	131349487
Reduced:	SF2O2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	242.021307
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	4.09
IP(EA), eV:	-8.84(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-7-methyl-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC=C2OC(F)F)C=O

DOS

IR

Vibrations