Geometry & MOs

Info

ID:	86532
PubChem CID:	49886697
Reduced:	NSCl2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	446.093643
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	1.61
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[3-[(2-nitrophenyl)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=CC=C3)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations