Geometry & MOs

Info

ID:

226420

PubChem CID:

87351905

Reduced:

FNO2C8H9 (2)

Stoich.:

ABC2D8E9 (2)

Weight, g/mol:

948.356836

ΔHf, kcal/mol:

-193.75

Dipole, Da:

9.49

IP(EA), eV:

 -8.96(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[[4,4-bis[4-(carboxymethoxy)-3-formyl-5-methylphenyl]cyclohexyl]methyl]-1-[4-(carboxymethoxy)-3-formyl-5-methylphenyl]cyclohexyl]-2-formyl-6-methylphenoxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=CN(C)N=CC1=CC=C(C=C1)OC)C(=O)C(F)F

DOS

IR

Vibrations