Geometry & MOs

Info

ID:	134526
PubChem CID:	51711170
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-71.88
Dipole, Da:	4.25
IP(EA), eV:	-8.93(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1R)-2-butylimino-4,4-dimethyl-6-oxocyclohexyl]-4-oxobutyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](CNS(=O)(=O)C)N(C)C

DOS

IR

Vibrations