Geometry & MOs

Info

ID:	60456
PubChem CID:	26687325
Reduced:	BrNF2O3H12C20 (1)
Stoich.:	ABC2D3E12F20 (1)
Weight, g/mol:	317.023054
ΔH_f, kcal/mol:	-133.87
Dipole, Da:	5.05
IP(EA), eV:	-8.69(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)F)F)Br

DOS

IR

Vibrations