Geometry & MOs

Info

ID:	62123
PubChem CID:	26717663
Reduced:	NSCl2F3O4H16C19 (1)
Stoich.:	ABC2D3E4F16G19 (1)
Weight, g/mol:	465.042469
ΔH_f, kcal/mol:	-291.1
Dipole, Da:	7.66
IP(EA), eV:	-9.74(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=CC=CC=C2Cl)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations