Geometry & MOs

Info

ID:

391777

PubChem CID:

135009458

Reduced:

O7C31H34 (1)

Stoich.:

A7B31C34 (1)

Weight, g/mol:

608.277404

ΔHf, kcal/mol:

-207.18

Dipole, Da:

4.88

IP(EA), eV:

 -9.48(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,6R,7R,8S,9R)-3-hydroxy-3-methyl-7,8,9-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-5-oxaspiro[3.5]nonan-2-one

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)C[C@@]12[C@H]([C@@H]([C@H]([C@@H](O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O

DOS

IR

Vibrations