Geometry & MOs

Info

ID:	302007
PubChem CID:	123109443
Reduced:	SO3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	6.33
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(4-ethylanilino)-1-oxopropan-2-yl]sulfinylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)CS(=O)CC

DOS

IR

Vibrations