Geometry & MOs

Info

ID:	86660
PubChem CID:	49888331
Reduced:	NSBr2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	590.9768
ΔH_f, kcal/mol:	-55.97
Dipole, Da:	5.08
IP(EA), eV:	-9.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-[(2-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)Br)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations