Geometry & MOs

Info

ID:	88102
PubChem CID:	49901180
Reduced:	BrNSO5H20C29 (1)
Stoich.:	ABCD5E20F29 (1)
Weight, g/mol:	445.03473
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	6.51
IP(EA), eV:	-8.83(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5Br

DOS

IR

Vibrations