Geometry & MOs

Info

ID:	854
PubChem CID:	3440
Reduced:	ClSN2O5H11C12 (1)
Stoich.:	ABC2D5E11F12 (1)
Weight, g/mol:	330.00772
ΔH_f, kcal/mol:	-158.03
Dipole, Da:	8.78
IP(EA), eV:	-9.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

DOS

IR

Vibrations