Geometry & MOs

Info

ID:	188298
PubChem CID:	77695449
Reduced:	SO3N4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	496.164363
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	3.87
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(C2)CN3CCN(CC3)C(C(C)O)OC4=CC5=C(C=C4)SC(=N5)C

DOS

IR

Vibrations