Geometry & MOs

Info

ID:

436632

PubChem CID:

135206336

Reduced:

ClFN3O4C32H39 (1)

Stoich.:

ABC3D4E32F39 (1)

Weight, g/mol:

497.325357

ΔHf, kcal/mol:

-194.04

Dipole, Da:

4.77

IP(EA), eV:

 -9.07(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[6-[(1S)-1-hydroxy-3-methylbutyl]pyridin-3-yl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1C(C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC(=C(N=C3)OCCC4=CC=CC=C4F)Cl

DOS

IR

Vibrations