Geometry & MOs

Info

ID:

409952

PubChem CID:

135082739

Reduced:

PdN2S2F6O8H22C23 (1)

Stoich.:

AB2C2D6E8F22G23 (1)

Weight, g/mol:

724.032619

ΔHf, kcal/mol:

-482.02

Dipole, Da:

6.04

IP(EA), eV:

 -8.85(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C1=N[C@H](CO1)C2=CC=CC=C2)C3=N[C@H](CO3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

DOS

IR

Vibrations