Geometry & MOs

Info

ID:	121413
PubChem CID:	50767086
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	424.145678
ΔH_f, kcal/mol:	-171.61
Dipole, Da:	5.72
IP(EA), eV:	-8.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl(methyl)amino]-3-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations