Geometry & MOs

Info

ID:	87224
PubChem CID:	49893341
Reduced:	BrNSCl2O3H14C19 (1)
Stoich.:	ABCD2E3F14G19 (1)
Weight, g/mol:	720.82391
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	6.01
IP(EA), eV:	-9.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations