Geometry & MOs

Info

ID:	86659
PubChem CID:	49888313
Reduced:	NSCl3O4H20C26 (1)
Stoich.:	ABC3D4E20F26 (1)
Weight, g/mol:	588.93811
ΔH_f, kcal/mol:	-100.57
Dipole, Da:	4.54
IP(EA), eV:	-8.66(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]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)Cl)OCC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations