Geometry & MOs

Info

ID:

224125

PubChem CID:

85338499

Reduced:

SO5N6C35H46 (1)

Stoich.:

AB5C6D35E46 (1)

Weight, g/mol:

666.397913

ΔHf, kcal/mol:

-107.92

Dipole, Da:

9.6

IP(EA), eV:

 -8.51(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid;8-(6-hydroxy-2-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyran-5-yl)-6-oxooctanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC1=CC=C(C=C1)NC2=NS(=O)(=O)N=C2NCC3(CCCC3)C4=CC=C(C=C4)N(C)C)NCC(COC5=CC=C(C=C5)O)O

DOS

IR

Vibrations