Geometry & MOs

Info

ID:	303602
PubChem CID:	124489950
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-270.35
Dipole, Da:	5.15
IP(EA), eV:	-10.44(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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