Geometry & MOs

Info

ID:	11651
PubChem CID:	118557
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	-118.78
Dipole, Da:	5.52
IP(EA), eV:	-8.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(4-methoxyanilino)benzenesulfonic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)O

DOS

IR

Vibrations