Geometry & MOs

Info

ID:

436637

PubChem CID:

135206421

Reduced:

O4N6C41H58 (1)

Stoich.:

A4B6C41D58 (1)

Weight, g/mol:

549.300285

ΔHf, kcal/mol:

-165.08

Dipole, Da:

5.91

IP(EA), eV:

 -8.54(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CN(CC4)C5=NC=CC(=N5)N6CCC(CC6)C(C)(C)O)C=C3

DOS

IR

Vibrations