Geometry & MOs

Info

ID:

161457

PubChem CID:

57391721

Reduced:

S2N3O5C32H47 (1)

Stoich.:

A2B3C5D32E47 (1)

Weight, g/mol:

637.241092

ΔHf, kcal/mol:

-209.29

Dipole, Da:

7.26

IP(EA), eV:

 -9.1(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(3R)-3-(3-chlorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CC[C@H](C2CCN(CC2)S(=O)(=O)C)C3=CC=CC(=C3)C)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations