Geometry & MOs

Info

ID:	88173
PubChem CID:	49902166
Reduced:	SCl2N2O4H10C17 (1)
Stoich.:	AB2C2D4E10F17 (1)
Weight, g/mol:	476.104208
ΔH_f, kcal/mol:	-36.25
Dipole, Da:	4.34
IP(EA), eV:	-9.75(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations