Geometry & MOs

Info

ID:	79341
PubChem CID:	49748152
Reduced:	SCl2N2O4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	497.162057
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	5.75
IP(EA), eV:	-9.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(benzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCC12N(CCO2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations