Geometry & MOs

Info

ID:

309984

PubChem CID:

126572158

Reduced:

F2O3N4C42H56 (1)

Stoich.:

A2B3C4D42E56 (1)

Weight, g/mol:

620.362551

ΔHf, kcal/mol:

-210.26

Dipole, Da:

8.33

IP(EA), eV:

 -8.36(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-(hydroxymethyl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CN5CCC(CC5)F)C)[C@@H](C(=O)O)OC(C)(C)C)N6CCC(CC6)(C)C

DOS

IR

Vibrations