Geometry & MOs

Info

ID:

406335

PubChem CID:

135077259

Reduced:

NPSO16C31H42 (1)

Stoich.:

ABCD16E31F42 (1)

Weight, g/mol:

398.248851

ΔHf, kcal/mol:

-726.51

Dipole, Da:

6.03

IP(EA), eV:

 -8.7(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-7-[(2-methylpropan-2-yl)oxy]-3-oxo-2-bicyclo[2.2.2]octanyl] acetate

Drug info:

PubChemData

Smile

CCOP(OCC)OC1(C(C(C(C(O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=S)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations