Geometry & MOs

Info

ID:	303601
PubChem CID:	124489949
Reduced:	O3C10H16 (2)
Stoich.:	A3B10C16 (2)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-287.1
Dipole, Da:	6.42
IP(EA), eV:	-10.16(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2S,5R)-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](CC(=O)O1)O)C/C=C\CCCC(=O)O)O

DOS

IR

Vibrations