Geometry & MOs

Info

ID:	86599
PubChem CID:	49887525
Reduced:	NSO2Cl3H10C17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	524.080885
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	3.05
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-ethoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC=C3Cl)Cl)/SC2=O)Cl

DOS

IR

Vibrations