Geometry & MOs

Info

ID:	182115
PubChem CID:	76846699
Reduced:	ON3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	352.92188
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	6.45
IP(EA), eV:	-8.19(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-iodo-1-oxo-2,3-dihydroisoindol-4-yl) methanesulfonate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)NC4=C3CCCCCC4

DOS

IR

Vibrations