Geometry & MOs

Info

ID:	317832
PubChem CID:	126646275
Reduced:	ClNSF4O4C31H36 (1)
Stoich.:	ABCD4E4F31G36 (1)
Weight, g/mol:	512.232049
ΔH_f, kcal/mol:	-351.88
Dipole, Da:	2.74
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-methylsulfonylpiperidin-3-yl)oxypropyl]-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CN(CCCOC1=CC(=C(C(=C1)S(=O)(=O)C)C(C)(C)O)F)CC2=C(C(=CC=C2)C(F)(F)F)Cl)C3=CC=CC=C3

DOS

IR

Vibrations