Geometry & MOs

Info

ID:	63258
PubChem CID:	26750392
Reduced:	ClNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-158.49
Dipole, Da:	10.75
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations