Geometry & MOs

Info

ID:	86562
PubChem CID:	49887123
Reduced:	BrNSCl2O4H14C24 (1)
Stoich.:	ABCD2E4F14G24 (1)
Weight, g/mol:	511.024099
ΔH_f, kcal/mol:	-81.65
Dipole, Da:	3.08
IP(EA), eV:	-9.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)Br)/SC2=O)Cl

DOS

IR

Vibrations