Geometry & MOs

Info

ID:	317848
PubChem CID:	126646435
Reduced:	NSF4O4C27H29 (1)
Stoich.:	ABC4D4E27F29 (1)
Weight, g/mol:	522.136704
ΔH_f, kcal/mol:	-312.96
Dipole, Da:	6.98
IP(EA), eV:	-9.21(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-[2-(4-fluorophenyl)ethyl]-3-(1-methylsulfonylazetidin-3-yl)oxypropan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)OCCCN(CC2=CC=CC=C2)CC3=C(C(=CC=C3)C(F)(F)F)F)CCO

DOS

IR

Vibrations