Geometry & MOs

Info

ID:	230483
PubChem CID:	87571022
Reduced:	O2N4Cl6H8C11 (1)
Stoich.:	A2B4C6D8E11 (1)
Weight, g/mol:	426.070799
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	1.36
IP(EA), eV:	-9.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[4-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]methyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1=CC2=NNN=C2C=C1N(CC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations