Geometry & MOs

Info

ID:	19645
PubChem CID:	569579
Reduced:	FN3O5H14C22 (1)
Stoich.:	AB3C5D14E22 (1)
Weight, g/mol:	419.091749
ΔH_f, kcal/mol:	-73.02
Dipole, Da:	5.0
IP(EA), eV:	-9.69(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-N-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

DOS

IR

Vibrations