Geometry & MOs

Info

ID:

436631

PubChem CID:

135206335

Reduced:

N3O4C29H43 (1)

Stoich.:

A3B4C29D43 (1)

Weight, g/mol:

583.261313

ΔHf, kcal/mol:

-170.51

Dipole, Da:

7.26

IP(EA), eV:

 -8.41(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=NC=C(C=C3)OCC(C)C

DOS

IR

Vibrations