Geometry & MOs

Info

ID:	231072
PubChem CID:	87572567
Reduced:	NaN3O8C12H15 (1)
Stoich.:	AB3C8D12E15 (1)
Weight, g/mol:	343.087829
ΔH_f, kcal/mol:	-378.1
Dipole, Da:	11.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754263
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-(2-phenoxyethoxy)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=C(NC=N1)C[C@@H](C(=O)OC(=O)CC(CC(=O)O)(C(=O)O)O)N.[Na]

DOS

IR

Vibrations