Geometry & MOs

Info

ID:	88199
PubChem CID:	49902270
Reduced:	FNSCl2O4H20C26 (1)
Stoich.:	ABCD2E4F20G26 (1)
Weight, g/mol:	418.96493
ΔH_f, kcal/mol:	-137.89
Dipole, Da:	4.13
IP(EA), eV:	-8.81(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-methylsulfanylphenyl)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(=CC=C3)Cl)Cl)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations