Geometry & MOs

Info

ID:	171048
PubChem CID:	75317621
Reduced:	NCl2S2O6H13C18 (1)
Stoich.:	AB2C2D6E13F18 (1)
Weight, g/mol:	423.073636
ΔH_f, kcal/mol:	-189.73
Dipole, Da:	4.1
IP(EA), eV:	-8.93(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)S2)Cl)OS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations