Geometry & MOs

Info

ID:	171045
PubChem CID:	75317193
Reduced:	BrSN2O4H13C17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	4.87
IP(EA), eV:	-9.18(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)S2)Br)OCC3=CC=CC=N3

DOS

IR

Vibrations