Geometry & MOs

Info

ID:	36658
PubChem CID:	8010382
Reduced:	NS2O6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	230.983758
ΔH_f, kcal/mol:	-197.34
Dipole, Da:	2.75
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(2S)-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]butanedioate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=O)[C@@]3([C@@H]2C4=C(NC(=O)S4)SC3)CC(=O)OC

DOS

IR

Vibrations