Geometry & MOs

Info

ID:	373702
PubChem CID:	131318970
Reduced:	SF2O2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	242.021307
ΔH_f, kcal/mol:	-155.32
Dipole, Da:	3.05
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-2-(hydroxymethyl)-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)O)C(F)F)CO

DOS

IR

Vibrations