Geometry & MOs

Info

ID:	224469
PubChem CID:	85343548
Reduced:	IrSF3O3C18H26 (1)
Stoich.:	ABC3D3E18F26 (1)
Weight, g/mol:	582.177737
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	29.96
IP(EA), eV:	-8.98(-5.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-[(4-methylphenyl)sulfonyloxymethyl]-5-phenylsulfanyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC#CC.C[C]1[C]([C]([C]([C]1C)C)C)C.[CH2-]C=C.C(F)(F)(F)S(=O)(=O)[O-].[Ir+3]

DOS

IR

Vibrations