Geometry & MOs

Info

ID:	4139
PubChem CID:	10825
Reduced:	NSO4H13C14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-117.49
Dipole, Da:	6.01
IP(EA), eV:	-9.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzylsulfonylamino)benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations