Geometry & MOs

Info

ID:	3464
PubChem CID:	9691
Reduced:	O5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-244.58
Dipole, Da:	3.64
IP(EA), eV:	-9.8(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCCC(=O)O)O)O

DOS

IR

Vibrations