Geometry & MOs

Info

ID:	153727
PubChem CID:	56313031
Reduced:	FCl2N2O3H17C20 (1)
Stoich.:	AB2C2D3E17F20 (1)
Weight, g/mol:	413.138699
ΔH_f, kcal/mol:	-136.52
Dipole, Da:	4.74
IP(EA), eV:	-9.66(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl)C3=CC=CC=C3F

DOS

IR

Vibrations