Geometry & MOs

Info

ID:	62286
PubChem CID:	26718929
Reduced:	SO2N3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	33.33
Dipole, Da:	2.96
IP(EA), eV:	-8.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CC/C(=C/C3=CC=CO3)/C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations