Geometry & MOs

Info

ID:	317846
PubChem CID:	126646431
Reduced:	ClSN2O3F6C25H29 (1)
Stoich.:	ABC2D3E6F25G29 (1)
Weight, g/mol:	474.160027
ΔH_f, kcal/mol:	-418.56
Dipole, Da:	7.09
IP(EA), eV:	-9.49(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-methylsulfonylazetidin-3-yl)oxypropan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)OCCCN(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=C(C=C3)F)(F)F

DOS

IR

Vibrations