Geometry & MOs

Info

ID:	352423
PubChem CID:	127283511
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-164.96
Dipole, Da:	4.28
IP(EA), eV:	-9.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3CC3)C

DOS

IR

Vibrations