Geometry & MOs

Info

ID:	303598
PubChem CID:	124489946
Reduced:	O3C10H17 (2)
Stoich.:	A3B10C17 (2)
Weight, g/mol:	368.219889
ΔH_f, kcal/mol:	-308.48
Dipole, Da:	6.1
IP(EA), eV:	-9.83(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations