Geometry & MOs

Info

ID:	376188
PubChem CID:	134222193
Reduced:	BrClSF3H15C19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	486.174197
ΔH_f, kcal/mol:	-99.27
Dipole, Da:	4.41
IP(EA), eV:	-9.04(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC(=C(C=C2)C=S)Br)C(F)(F)F

DOS

IR

Vibrations