Geometry & MOs

Info

ID:	169384
PubChem CID:	75097914
Reduced:	SO2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	565.113959
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	4.69
IP(EA), eV:	-8.19(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC=C(C=CCOCC=C)S(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations