Geometry & MOs

Info

ID:

32157

PubChem CID:

4266415

Reduced:

NSO5H8C10 (1)

Stoich.:

ABC5D8E10 (1)

Weight, g/mol:

255.020144

ΔHf, kcal/mol:

-117.7

Dipole, Da:

9.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766923

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-]

DOS

IR

Vibrations