Geometry & MOs

Info

ID:	373703
PubChem CID:	131318990
Reduced:	SF2O2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	242.021307
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	4.16
IP(EA), eV:	-9.23(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2C(F)F)CO)C=O

DOS

IR

Vibrations