Geometry & MOs

Info

ID:	124752
PubChem CID:	50895234
Reduced:	FSN2O5C16H17 (1)
Stoich.:	ABC2D5E16F17 (1)
Weight, g/mol:	379.108959
ΔH_f, kcal/mol:	-193.15
Dipole, Da:	4.85
IP(EA), eV:	-8.69(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N(CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations