Geometry & MOs

Info

ID:	373472
PubChem CID:	131315772
Reduced:	ClSF2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	261.966685
ΔH_f, kcal/mol:	-152.87
Dipole, Da:	5.25
IP(EA), eV:	-9.58(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(difluoromethyl)-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=C2C(F)F)C(=O)O

DOS

IR

Vibrations