Geometry & MOs

Info

ID:	87430
PubChem CID:	49894584
Reduced:	BrFSN2O5H20C26 (1)
Stoich.:	ABCD2E5F20G26 (1)
Weight, g/mol:	355.070071
ΔH_f, kcal/mol:	-145.96
Dipole, Da:	4.49
IP(EA), eV:	-8.94(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)OCC4=CC(=CC=C4)F

DOS

IR

Vibrations