Geometry & MOs

Info

ID:

436648

PubChem CID:

135206569

Reduced:

ClFN3O3C37H47 (1)

Stoich.:

ABC3D3E37F47 (1)

Weight, g/mol:

563.315935

ΔHf, kcal/mol:

-171.12

Dipole, Da:

5.75

IP(EA), eV:

 -8.89(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[5-[2-(4-fluorophenyl)ethoxy]-6-methylpyridin-2-yl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CF)C)C(C(=O)O)OC(C)(C)C)N5CCC(CC5)(C)C

DOS

IR

Vibrations