Geometry & MOs

Info

ID:

188194

PubChem CID:

77680947

Reduced:

FSN3O5C28H30 (1)

Stoich.:

ABC3D5E28F30 (1)

Weight, g/mol:

525.190912

ΔHf, kcal/mol:

-176.69

Dipole, Da:

7.12

IP(EA), eV:

 -8.48(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(dimethylamino)methyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=NC2=C(C=C(C=C2S1)F)C3CC3)C(=O)CN4CC(CC4=O)C5=CC(=C(C=C5)OC)OC6CCCO6

DOS

IR

Vibrations