Geometry & MOs

Info

ID:	87649
PubChem CID:	49896273
Reduced:	NSO3Cl4H17C25 (1)
Stoich.:	ABC3D4E17F25 (1)
Weight, g/mol:	491.078721
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	1.77
IP(EA), eV:	-9.4(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)OCC4=CC(=C(C=C4)Cl)Cl)Cl)/SC2=O

DOS

IR

Vibrations