Geometry & MOs

Info

ID:	87135
PubChem CID:	49892606
Reduced:	BrNSCl2O3H16C24 (1)
Stoich.:	ABCD2E3F16G24 (1)
Weight, g/mol:	518.89597
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	4.9
IP(EA), eV:	-9.11(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[(3-iodo-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br

DOS

IR

Vibrations