Geometry & MOs

Info

ID:

394478

PubChem CID:

135023043

Reduced:

O7C18H21 (2)

Stoich.:

A7B18C21 (2)

Weight, g/mol:

658.293054

ΔHf, kcal/mol:

-558.44

Dipole, Da:

3.13

IP(EA), eV:

 -9.86(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-phenyl-2-[(2S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyethanone

Drug info:

PubChemData

Smile

CC(=O)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@@H](C1O[C@]45CC(=O)OC4C([C@H]6C(O5)COC(O6)C7=CC=CC=C7)OC(=O)C(C)(C)C)OC

DOS

IR

Vibrations