Geometry & MOs

Info

ID:

409958

PubChem CID:

135082745

Reduced:

PdCl2N2O10C17H30 (1)

Stoich.:

AB2C2D10E17F30 (1)

Weight, g/mol:

519.149859

ΔHf, kcal/mol:

-69.98

Dipole, Da:

5.84

IP(EA), eV:

 -9.83(-4.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS)-1-(2-methoxyphenyl)-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole;trifluoromethanesulfonic acid

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.[Pd+2]

DOS

IR

Vibrations