Geometry & MOs

Info

ID:	61550
PubChem CID:	26710399
Reduced:	ClSN2O5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	486.143628
ΔH_f, kcal/mol:	-165.46
Dipole, Da:	6.29
IP(EA), eV:	-8.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenoxy)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations