Geometry & MOs

Info

ID:	88244
PubChem CID:	49902569
Reduced:	BrINSO4H21C26 (1)
Stoich.:	ABCDE4F21G26 (1)
Weight, g/mol:	502.991648
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	6.0
IP(EA), eV:	-8.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3-chlorophenyl)methyl]-5-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OCC4=CC=CC=C4

DOS

IR

Vibrations