Geometry & MOs

Info

ID:	159067
PubChem CID:	57260109
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	426.298139
ΔH_f, kcal/mol:	-143.76
Dipole, Da:	5.38
IP(EA), eV:	-9.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(2-hydroxypropoxy)methyl]-7-[(1R,2R)-2-oct-1-enyl-5-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(CN1C(=O)O)(CCC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations