Geometry & MOs

Info

ID:	86603
PubChem CID:	49887554
Reduced:	NSCl2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	502.991648
ΔH_f, kcal/mol:	-85.16
Dipole, Da:	6.4
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]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=C(C=C3)Cl)OCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations