Geometry & MOs

Info

ID:	87610
PubChem CID:	49895784
Reduced:	BrN2S2O7H25C28 (1)
Stoich.:	AB2C2D7E25F28 (1)
Weight, g/mol:	392.155849
ΔH_f, kcal/mol:	-206.92
Dipole, Da:	8.89
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-methylphenyl)methyl]-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)Br)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations