Geometry & MOs

Info

ID:	50084
PubChem CID:	12012587
Reduced:	NS2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	329.093309
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	5.98
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(E)-1-(4-methylsulfonyloxyphenyl)ethylideneamino]oxypropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCO/N=C/C2=CSC=C2

DOS

IR

Vibrations