Geometry & MOs

Info

ID:	169424
PubChem CID:	75103074
Reduced:	SN2F3O3H25C26 (1)
Stoich.:	AB2C3D3E25F26 (1)
Weight, g/mol:	459.088277
ΔH_f, kcal/mol:	-216.65
Dipole, Da:	3.99
IP(EA), eV:	-8.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C1CCN(C(=O)C1)C2=CC=C(C=C2)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations