Geometry & MOs

Info

ID:	48564
PubChem CID:	11108285
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	267.020144
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	2.91
IP(EA), eV:	-10.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4S)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(=O)O[C@]1(C[C@H](O[C@H]1CC/C(=C/[N+]#N)/[O-])C=C)C

DOS

IR

Vibrations