Geometry & MOs

Info

ID:	217448
PubChem CID:	85087841
Reduced:	PSN3O7C11H16 (1)
Stoich.:	ABC3D7E11F16 (1)
Weight, g/mol:	365.054478
ΔH_f, kcal/mol:	-255.11
Dipole, Da:	3.56
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxoisoindol-2-yl)-3-methylbutyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COP(=O)(C(C(CC1=CC=CC=C1)N=[N+]=[N-])OS(=O)(=O)O)OC

DOS

IR

Vibrations