Geometry & MOs

Info

ID:	412029
PubChem CID:	135084892
Reduced:	CuO4F6C23H36 (1)
Stoich.:	AB4C6D23E36 (1)
Weight, g/mol:	292.24023
ΔH_f, kcal/mol:	-357.51
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.055163
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-tert-butyl-5-[2-[(3S)-3-tert-butyl-2,3-dihydrofuran-5-yl]propan-2-yl]-2,3-dihydrofuran

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1COC(=[C-]1)C(C)(C)C2=[C-][C@H](CO2)C(C)(C)C.C(C(F)(F)F)O.C(C(F)(F)F)O.[Cu+2]

DOS

IR

Vibrations