Geometry & MOs

Info

ID:	33014
PubChem CID:	7850343
Reduced:	FN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	378.070799
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	5.59
IP(EA), eV:	-8.92(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylamino]ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)N(C(=O)C12CCCCC2)CC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations