Geometry & MOs

Info

ID:	230200
PubChem CID:	87570409
Reduced:	NaSO6H8C10 (1)
Stoich.:	ABC6D8E10 (1)
Weight, g/mol:	474.047477
ΔH_f, kcal/mol:	-184.66
Dipole, Da:	3.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)O.[Na]

DOS

IR

Vibrations