Geometry & MOs

Info

ID:	12285
PubChem CID:	134139
Reduced:	SO5C19H32 (1)
Stoich.:	AB5C19D32 (1)
Weight, g/mol:	372.197045
ΔH_f, kcal/mol:	-258.99
Dipole, Da:	6.66
IP(EA), eV:	-9.27(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(1R,2R,3R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]propylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=C[C@H]1[C@@H](CC(=O)[C@@H]1CCCSCCC(=O)O)O)O

DOS

IR

Vibrations