Geometry & MOs

Info

ID:	226021
PubChem CID:	87246626
Reduced:	SO2C6H10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	429.160994
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	4.85
IP(EA), eV:	-9.51(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-6-(oxolan-3-yl)-1,3-dihydroisoindole-2-carbaldehyde

Drug info:

PubChemData

Smile

C=CCC(CS)C(=O)O

DOS

IR

Vibrations