Geometry & MOs

Info

ID:	317835
PubChem CID:	126646336
Reduced:	ClNSF4O4C28H30 (1)
Stoich.:	ABCD4E4F28G30 (1)
Weight, g/mol:	546.193076
ΔH_f, kcal/mol:	-330.54
Dipole, Da:	4.49
IP(EA), eV:	-9.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1CCO)F)OCCCN(CCC2=CC=CC=C2)CC3=C(C(=CC=C3)C(F)(F)F)Cl

DOS

IR

Vibrations