Geometry & MOs

Info

ID:	86661
PubChem CID:	49888340
Reduced:	ClINSO4H19C25 (1)
Stoich.:	ABCDE4F19G25 (1)
Weight, g/mol:	590.9768
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	3.37
IP(EA), eV:	-9.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-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=CC=C3)I)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations