Geometry & MOs

Info

ID:	160466
PubChem CID:	57309814
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	8.69
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-2-(2,4,6-trimethylphenyl)pentyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1C=C(C(=O)CN2CCC3C2C1=CC(=C3)C(=O)N=C(N)N)OS(=O)(=O)C

DOS

IR

Vibrations