Geometry & MOs

Info

ID:	157433
PubChem CID:	56424136
Reduced:	NF3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	413.127249
ΔH_f, kcal/mol:	-265.24
Dipole, Da:	6.61
IP(EA), eV:	-8.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=C(C=C(C=C1)OC)OC)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations