Geometry & MOs

Info

ID:	88235
PubChem CID:	49902481
Reduced:	BrINSO4H21C22 (1)
Stoich.:	ABCDE4F21G22 (1)
Weight, g/mol:	518.89624
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	3.02
IP(EA), eV:	-9.19(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC

DOS

IR

Vibrations