Geometry & MOs

Info

ID:	300216
PubChem CID:	121269868
Reduced:	BrFO3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	437.93844
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	4.91
IP(EA), eV:	-10.2(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,2-difluoro-5-(3-fluoro-5-methoxyphenoxy)-1,1-dioxo-3H-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

C1C(C2=C(C=CC(=C2C1=O)Br)F)C(=O)O

DOS

IR

Vibrations