Geometry & MOs

Info

ID:	433111
PubChem CID:	135173248
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	241.040879
ΔH_f, kcal/mol:	-199.37
Dipole, Da:	6.5
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxo-2,3-dihydroisoindol-5-yl)methyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)N3CCOCC3

DOS

IR

Vibrations