Geometry & MOs

Info

ID:	303597
PubChem CID:	124489945
Reduced:	O3C10H16 (2)
Stoich.:	A3B10C16 (2)
Weight, g/mol:	370.235539
ΔH_f, kcal/mol:	-132.77
Dipole, Da:	5.6
IP(EA), eV:	-9.15(0.06)
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]-6-oxoheptanoic acid

Drug info:

PubChemData

Smile

CCCCC[C@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@H]1C/C=C\CCCC(=O)O)OO2)OO

DOS

IR

Vibrations