Geometry & MOs

Info

ID:	381641
PubChem CID:	134972437
Reduced:	PRuCl2F5H11C18 (1)
Stoich.:	ABC2D5E11F18 (1)
Weight, g/mol:	260.180771
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	5.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099230
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F.Cl[Ru]Cl

DOS

IR

Vibrations