Geometry & MOs

Info

ID:	23448
PubChem CID:	603620
Reduced:	ClN2O4F6H9C16 (1)
Stoich.:	AB2C4D6E9F16 (1)
Weight, g/mol:	442.015503
ΔH_f, kcal/mol:	-360.91
Dipole, Da:	7.7
IP(EA), eV:	-9.56(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-nitro-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OCC(F)(F)F

DOS

IR

Vibrations