Geometry & MOs

Info

ID:	88155
PubChem CID:	49901909
Reduced:	BrNSCl2O2H10C17 (1)
Stoich.:	ABCD2E2F10G17 (1)
Weight, g/mol:	506.01472
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	2.36
IP(EA), eV:	-9.68(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations