Geometry & MOs

Info

ID:

182966

PubChem CID:

76964620

Reduced:

ClSO5C17H17 (2)

Stoich.:

ABC5D17E17 (2)

Weight, g/mol:

601.25669

ΔHf, kcal/mol:

-334.03

Dipole, Da:

8.05

IP(EA), eV:

 -8.95(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(4-bromophenyl)-1-[4-(3-ethyl-4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)SC.C[C@H]1CC(=O)C=C([C@@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)SC

DOS

IR

Vibrations