Geometry & MOs

Info

ID:	10988
PubChem CID:	109719
Reduced:	SN3O5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	425.104542
ΔH_f, kcal/mol:	-150.47
Dipole, Da:	1.82
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-acetamidophenyl)-2-[(3-aminobenzoyl)amino]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)N)S(=O)(=O)O

DOS

IR

Vibrations