Geometry & MOs

Info

ID:	376153
PubChem CID:	134222157
Reduced:	BrOCl2F3H12C18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	520.135225
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	4.64
IP(EA), eV:	-9.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-4,5-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(=C1Cl)Cl)C(/C=C/C2=CC(=C(C=C2)C=O)Br)C(F)(F)F

DOS

IR

Vibrations