Geometry & MOs

Info

ID:

296875

PubChem CID:

117598314

Reduced:

FCl2N2O2C44H49 (1)

Stoich.:

AB2C2D2E44F49 (1)

Weight, g/mol:

586.224593

ΔHf, kcal/mol:

-85.03

Dipole, Da:

5.13

IP(EA), eV:

 -9.05(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F.Cl

DOS

IR

Vibrations