Geometry & MOs

Info

ID:

436658

PubChem CID:

135206674

Reduced:

O2N3C19H26 (2)

Stoich.:

A2B3C19D26 (2)

Weight, g/mol:

658.333062

ΔHf, kcal/mol:

-141.72

Dipole, Da:

8.83

IP(EA), eV:

 -8.62(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCC3=C(C2)C=CC(=C3)C4=C(N=C(C(=C4N5CCC(CC5)(C)C)[C@@H](C(=O)O)OC(C)(C)C)C)C)N6CCOCC6

DOS

IR

Vibrations