Geometry & MOs

Info

ID:	146874
PubChem CID:	53764933
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	253.004493
ΔH_f, kcal/mol:	73.53
Dipole, Da:	5.49
IP(EA), eV:	-8.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dioxo-4-phenylpyrrole-3-sulfonic acid

Drug info:

PubChemData

Smile

C=CCN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]

DOS

IR

Vibrations