Geometry & MOs

Info

ID:	269070
PubChem CID:	103609804
Reduced:	BrClSN2O3C13H18 (1)
Stoich.:	ABCD2E3F13G18 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-120.53
Dipole, Da:	6.41
IP(EA), eV:	-9.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(6-hydroxyhexyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCCBr

DOS

IR

Vibrations