Geometry & MOs

Info

ID:	303581
PubChem CID:	124489928
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-255.66
Dipole, Da:	4.66
IP(EA), eV:	-9.94(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3aS,4S,5R,6aR)-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]([C@H]1C/C=C\CCCC(=O)O)O)O)O

DOS

IR

Vibrations