Geometry & MOs

Info

ID:	62122
PubChem CID:	26717651
Reduced:	ClSN2F3O4H18C22 (1)
Stoich.:	ABC2D3E4F18G22 (1)
Weight, g/mol:	481.012919
ΔH_f, kcal/mol:	-249.74
Dipole, Da:	6.51
IP(EA), eV:	-9.25(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl) 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations