Geometry & MOs

Info

ID:

32232

PubChem CID:

6436038

Reduced:

O35C57H94 (1)

Stoich.:

A35B57C94 (1)

Weight, g/mol:

382.235539

ΔHf, kcal/mol:

-1574.44

Dipole, Da:

8.14

IP(EA), eV:

 -10.23(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-7-[(1S,2S,3S)-2-[(E,3S)-5-ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCC[C@H](C)C[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCC/C=C\C(=O)O)O)O.C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O

DOS

IR

Vibrations