Geometry & MOs

Info

ID:	374875
PubChem CID:	131349615
Reduced:	ClOSF2H5C10 (1)
Stoich.:	ABCD2E5F10 (1)
Weight, g/mol:	245.97177
ΔH_f, kcal/mol:	-98.86
Dipole, Da:	2.71
IP(EA), eV:	-9.44(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(difluoromethyl)-1-benzothiophene-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C(F)F)C=C(S2)C=O)Cl

DOS

IR

Vibrations