Geometry & MOs

Info

ID:	393677
PubChem CID:	135021465
Reduced:	N2F3O5H13C22 (1)
Stoich.:	A2B3C5D13E22 (1)
Weight, g/mol:	460.068234
ΔH_f, kcal/mol:	-189.18
Dipole, Da:	4.25
IP(EA), eV:	-9.95(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations