Geometry & MOs

Info

ID:	10640
PubChem CID:	105948
Reduced:	SN4O5H18C20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	426.099791
ΔH_f, kcal/mol:	-142.23
Dipole, Da:	3.73
IP(EA), eV:	-8.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis[(4-aminobenzoyl)amino]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N)S(=O)(=O)O)N

DOS

IR

Vibrations