Geometry & MOs

Info

ID:	398020
PubChem CID:	135031393
Reduced:	Na2H3I3Cl4O5C20 (1)
Stoich.:	A2B3C3D4E5F20 (1)
Weight, g/mol:	429.251523
ΔH_f, kcal/mol:	-212.64
Dipole, Da:	8.68
IP(EA), eV:	-8.9(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 12-(1,3-dioxoisoindol-2-yl)-15-oxohexadecanoate

Drug info:

PubChemData

Smile

C1=C2C(=C3C=C(C(=O)C=C3OC2=C(C(=C1I)[O-])I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations