Geometry & MOs

Info

ID:	121411
PubChem CID:	50767052
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-161.03
Dipole, Da:	13.69
IP(EA), eV:	-8.52(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylamino)-3-[(4-methylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations