Geometry & MOs

Info

ID:	165160
PubChem CID:	74508120
Reduced:	ClNF3O3H15C19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	454.117413
ΔH_f, kcal/mol:	-240.83
Dipole, Da:	1.73
IP(EA), eV:	-9.48(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations