Geometry & MOs

Info

ID:	372532
PubChem CID:	131299366
Reduced:	BrSF2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	305.91617
ΔH_f, kcal/mol:	-140.51
Dipole, Da:	3.16
IP(EA), eV:	-9.39(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(difluoromethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2C(F)F)Br)C(=O)O

DOS

IR

Vibrations