Geometry & MOs

Info

ID:	289457
PubChem CID:	104355343
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	306.067428
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	9.85
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(4-methylphenyl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations