Geometry & MOs

Info

ID:	390892
PubChem CID:	135001461
Reduced:	NSF3O9H18C21 (1)
Stoich.:	ABC3D9E18F21 (1)
Weight, g/mol:	469.091276
ΔH_f, kcal/mol:	-364.31
Dipole, Da:	4.61
IP(EA), eV:	-9.59(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-2-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OS(=O)(=O)C(F)(F)F)C(=O)OC)/C=C/CC(C(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations