Geometry & MOs

Info

ID:	300225
PubChem CID:	121269880
Reduced:	FSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	260.051858
ΔH_f, kcal/mol:	-209.95
Dipole, Da:	5.92
IP(EA), eV:	-10.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C2C(CC(C2=C(C=C1)F)CO)O

DOS

IR

Vibrations