Geometry & MOs

Info

ID:

303582

PubChem CID:

124489929

Reduced:

O5C20H32 (1)

Stoich.:

A5B20C32 (1)

Weight, g/mol:

352.224974

ΔHf, kcal/mol:

-247.77

Dipole, Da:

6.68

IP(EA), eV:

 -9.04(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[(3aS,4S,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C[C@@H]2[C@H]1C/C(=C/CCCC(=O)O)/O2)O)O

DOS

IR

Vibrations