Geometry & MOs

Info

ID:	154041
PubChem CID:	56313406
Reduced:	FNO3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	446.06413
ΔH_f, kcal/mol:	-126.53
Dipole, Da:	6.17
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CC(=CC(=C1)OC)OC)C2=CC=CC=C2F

DOS

IR

Vibrations