Geometry & MOs

Info

ID:	303603
PubChem CID:	124489951
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	356.256274
ΔH_f, kcal/mol:	-271.15
Dipole, Da:	6.11
IP(EA), eV:	-9.66(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2S,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations