Geometry & MOs

Info

ID:	145205
PubChem CID:	53477488
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-257.77
Dipole, Da:	3.2
IP(EA), eV:	-10.01(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(1E,3R,5Z)-3-hydroxyundeca-1,5-dienyl]cyclopentyl]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations