Geometry & MOs

Info

ID:

168329

PubChem CID:

74952699

Reduced:

ClS2O8C35H35 (1)

Stoich.:

AB2C8D35E35 (1)

Weight, g/mol:

726.22858

ΔHf, kcal/mol:

-239.46

Dipole, Da:

6.74

IP(EA), eV:

 -9.33(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[15-(4-acetyl-3-hydroxy-2-propylphenoxy)-1,1,1,2,2-pentafluoro-6-hydroxypentadeca-8,10-dien-7-yl]sulfanyl-4-oxochromene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC=CC=CC(C(C2=CC=C(S2)Cl)O)SC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)O

DOS

IR

Vibrations