Geometry & MOs

Info

ID:

51162

PubChem CID:

12013794

Reduced:

O11C26H28 (1)

Stoich.:

A11B26C28 (1)

Weight, g/mol:

636.129397

ΔHf, kcal/mol:

-438.31

Dipole, Da:

5.13

IP(EA), eV:

 -9.1(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopenta-1,3-diene;iron(2+);[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl] 3-cyclopenta-1,3-dien-1-ylbenzoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C2=CC=C(C=C2)C3=CC=CC3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations