Geometry & MOs

Info

ID:	393674
PubChem CID:	135021462
Reduced:	FN2O5H13C21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	415.083156
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	5.92
IP(EA), eV:	-9.66(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations