Geometry & MOs

Info

ID:

436640

PubChem CID:

135206448

Reduced:

NF2O2C17H20 (2)

Stoich.:

AB2C2D17E20 (2)

Weight, g/mol:

500.316269

ΔHf, kcal/mol:

-357.5

Dipole, Da:

3.99

IP(EA), eV:

 -9.14(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC(=C(C=C3)OCCC4=CC=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations