Geometry & MOs

Info

ID:

83337

PubChem CID:

49857465

Reduced:

NO6C21H27 (1)

Stoich.:

AB6C21D27 (1)

Weight, g/mol:

504.327101

ΔHf, kcal/mol:

-228.29

Dipole, Da:

2.45

IP(EA), eV:

 -8.7(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S,6S,8S,10R)-2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypropyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecane-8-carbaldehyde

Drug info:

PubChemData

Smile

CC1(O[C@H]2C[C@H]3CCN([C@H]3[C@H]([C@H]2O1)C4=CC5=C(C=C4C(=O)OC)OCO5)C)C

DOS

IR

Vibrations