Geometry & MOs

Info

ID:	38635
PubChem CID:	8137298
Reduced:	ClO3N5H12C18 (1)
Stoich.:	AB3C5D12E18 (1)
Weight, g/mol:	381.112484
ΔH_f, kcal/mol:	49.73
Dipole, Da:	2.18
IP(EA), eV:	-9.72(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations