Geometry & MOs

Info

ID:

436626

PubChem CID:

135206282

Reduced:

F3N3O3C34H46 (1)

Stoich.:

A3B3C3D34E46 (1)

Weight, g/mol:

596.306179

ΔHf, kcal/mol:

-267.65

Dipole, Da:

5.97

IP(EA), eV:

 -8.61(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)CN2CCC3(CCC3)CC2)C4=CC(=C(C(=C4)F)F)F)N5CCC(CC5)(C)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations