Geometry & MOs

Info

ID:	87182
PubChem CID:	49892937
Reduced:	BrSCl2N2O4H17C26 (1)
Stoich.:	ABC2D2E4F17G26 (1)
Weight, g/mol:	498.94113
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	3.65
IP(EA), eV:	-9.08(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)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=C(C=C(C=C3)Cl)Cl)Br)OCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations