Geometry & MOs

Info

ID:	62578
PubChem CID:	26719891
Reduced:	S2N3O5H11C15 (1)
Stoich.:	A2B3C5D11E15 (1)
Weight, g/mol:	449.104542
ΔH_f, kcal/mol:	-51.55
Dipole, Da:	3.18
IP(EA), eV:	-9.55(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-1,3-dioxo-N-(3-sulfamoylphenyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations