Geometry & MOs

Info

ID:	433192
PubChem CID:	135173329
Reduced:	SN2O4C9H18 (1)
Stoich.:	AB2C4D9E18 (1)
Weight, g/mol:	429.080157
ΔH_f, kcal/mol:	-178.79
Dipole, Da:	3.75
IP(EA), eV:	-9.33(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-1,3-dihydroisoindol-2-yl)methyl]-5-[(4-methylsulfinylphenyl)methoxy]pyran-4-one

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(C1)COS(=O)(=O)C

DOS

IR

Vibrations