Geometry & MOs

Info

ID:

409950

PubChem CID:

135082737

Reduced:

ZnCl2N2O10C17H30 (1)

Stoich.:

AB2C2D10E17F30 (1)

Weight, g/mol:

696.001319

ΔHf, kcal/mol:

-46.04

Dipole, Da:

6.52

IP(EA), eV:

 -9.37(-5.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)C(C)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Zn+2]

DOS

IR

Vibrations