Geometry & MOs

Info

ID:

181271

PubChem CID:

76725878

Reduced:

ClN2O4C32H37 (1)

Stoich.:

AB2C4D32E37 (1)

Weight, g/mol:

451.169641

ΔHf, kcal/mol:

-146.36

Dipole, Da:

3.9

IP(EA), eV:

 -8.98(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)C3=CC=CC(=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations