Geometry & MOs

Info

ID:

158867

PubChem CID:

57244116

Reduced:

NF3O3C19H22 (1)

Stoich.:

AB3C3D19E22 (1)

Weight, g/mol:

564.403013

ΔHf, kcal/mol:

-257.13

Dipole, Da:

3.3

IP(EA), eV:

 -8.91(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[4-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl] acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(C)(C(CN)O)OC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations