Geometry & MOs

Info

ID:	141470
PubChem CID:	52880341
Reduced:	S2N4O4C17H20 (1)
Stoich.:	A2B4C4D17E20 (1)
Weight, g/mol:	399.077658
ΔH_f, kcal/mol:	-48.62
Dipole, Da:	2.22
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1CC2=NN=C(O2)SC[C@@H]3CN=C(NO3)C4=CC=CC=C4

DOS

IR

Vibrations