Geometry & MOs

Info

ID:	169385
PubChem CID:	75097943
Reduced:	ClNO9H24C29 (1)
Stoich.:	ABC9D24E29 (1)
Weight, g/mol:	565.113959
ΔH_f, kcal/mol:	-295.02
Dipole, Da:	5.61
IP(EA), eV:	-9.85(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-benzoyloxy-5-(1,3-dioxoisoindol-2-yl)-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)Cl)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations