Geometry & MOs

Info

ID:	136803
PubChem CID:	52102983
Reduced:	OSF3N3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	495.11497
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	3.97
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-methylsulfanyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=S)N1)C2=C(C=C(C=C2)F)F)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations