Geometry & MOs

Info

ID:	393678
PubChem CID:	135021466
Reduced:	N2F4O5H12C22 (1)
Stoich.:	A2B4C5D12E22 (1)
Weight, g/mol:	415.083156
ΔH_f, kcal/mol:	-230.96
Dipole, Da:	1.58
IP(EA), eV:	-10.27(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)C(F)(F)F)C(=O)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations