Geometry & MOs

Info

ID:	32516
PubChem CID:	7840777
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	396.081364
ΔH_f, kcal/mol:	-79.99
Dipole, Da:	3.63
IP(EA), eV:	-8.97(-1.47)
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] 3-(4-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

DOS

IR

Vibrations