Geometry & MOs

Info

ID:	380992
PubChem CID:	134971612
Reduced:	SO3C22H24 (1)
Stoich.:	AB3C22D24 (1)
Weight, g/mol:	495.171559
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	6.03
IP(EA), eV:	-8.22(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-3-[(8E)-8-[[(S)-(4-methylphenyl)sulfinyl]methylidene]-1,4-dioxaspiro[4.5]decan-7-yl]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@@](=O)CC2=CCC3(CC2)OCC4=CC=CC=C4CO3

DOS

IR

Vibrations