Geometry & MOs

Info

ID:	175454
PubChem CID:	75907476
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	409.059611
ΔH_f, kcal/mol:	-227.93
Dipole, Da:	1.85
IP(EA), eV:	-9.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-(4-chloro-3-nitroanilino)-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)N4CC(CC4C(=O)OCC5=CC(=CC=C5)F)O

DOS

IR

Vibrations