Geometry & MOs

Info

ID:

389093

PubChem CID:

134991129

Reduced:

CuN2S2F6O6H32C38 (1)

Stoich.:

AB2C2D6E6F32G38 (1)

Weight, g/mol:

672.207979

ΔHf, kcal/mol:

-308.74

Dipole, Da:

15.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.808312

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]propan-2-ol;2-methylpropan-2-ol;zirconium;dihydrate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)NCC3=CC=CC4=CC=CC=C43)NCC5=CC=CC6=CC=CC=C65.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Cu+2]

DOS

IR

Vibrations