Geometry & MOs

Info

ID:	5310
PubChem CID:	12943
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-275.07
Dipole, Da:	2.83
IP(EA), eV:	-10.05(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=CC1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O

DOS

IR

Vibrations