Geometry & MOs

Info

ID:	1384
PubChem CID:	4280
Reduced:	NSO6C11H15 (1)
Stoich.:	ABC6D11E15 (1)
Weight, g/mol:	289.062008
ΔH_f, kcal/mol:	-228.97
Dipole, Da:	4.16
IP(EA), eV:	-9.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bis(2-hydroxyethyl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N(CCO)CCO)C(=O)O

DOS

IR

Vibrations