Geometry & MOs

Info

ID:	300224
PubChem CID:	121269879
Reduced:	BrFSO2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	260.051858
ΔH_f, kcal/mol:	-103.64
Dipole, Da:	3.83
IP(EA), eV:	-10.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-(hydroxymethyl)-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C2=C1C(=C(C=C2)F)Br

DOS

IR

Vibrations