Geometry & MOs

Info

ID:

381939

PubChem CID:

134972805

Reduced:

NSSiF3O10C37H40 (1)

Stoich.:

ABCD3E10F37G40 (1)

Weight, g/mol:

791.240729

ΔHf, kcal/mol:

-492.68

Dipole, Da:

2.9

IP(EA), eV:

 -8.96(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[(1R)-1-[[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)propan-2-yl]amino]-2-hydroxyethyl]-5-phenylmethoxy-1,3-benzodioxol-4-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H](CO)N[C@H](C3=CC(=C(C4=C3OCO4)OS(=O)(=O)C(F)(F)F)OCC5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations