Geometry & MOs

Info

ID:

50469

PubChem CID:

12013010

Reduced:

O2C4H5 (6)

Stoich.:

A2B4C5 (6)

Weight, g/mol:

950.381869

ΔHf, kcal/mol:

-490.74

Dipole, Da:

3.63

IP(EA), eV:

 -9.93(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,5R)-2-[4-[(4R,5R)-4,5-bis[hydroxy(diphenyl)methyl]-1,3-dioxolan-2-yl]phenyl]-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](OC(O1)C2=CC=C(C=C2)C3O[C@H]([C@@H](O3)C(=O)OCC)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations