Geometry & MOs

Info

ID:	393676
PubChem CID:	135021464
Reduced:	NO3F4H13C22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	442.077656
ΔH_f, kcal/mol:	-234.65
Dipole, Da:	4.46
IP(EA), eV:	-9.7(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[2-(2-oxo-2-phenylacetyl)-4-(trifluoromethyl)phenyl]benzamide

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)F

DOS

IR

Vibrations