Geometry & MOs

Info

ID:	396555
PubChem CID:	135028754
Reduced:	RhP2C24H44 (1)
Stoich.:	AB2C24D44 (1)
Weight, g/mol:	428.277813
ΔH_f, kcal/mol:	-58.33
Dipole, Da:	11.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755039
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-3-yn-2-ol

Drug info:

PubChemData

Smile

[CH3-].[CH3-].CC[C@H]1CC[C@@H]([PH+]1C2=CC=CC=C2[PH+]3[C@H](CC[C@@H]3CC)CC)CC.[Rh+3]

DOS

IR

Vibrations