Geometry & MOs

Info

ID:	127025
PubChem CID:	50987809
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	366.204239
ΔH_f, kcal/mol:	-188.31
Dipole, Da:	1.71
IP(EA), eV:	-10.32(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid

Drug info:

PubChemData

Smile

CCC(=O)C(CC(=O)OC)C(=O)CC

DOS

IR

Vibrations