Geometry & MOs

Info

ID:	86784
PubChem CID:	49889309
Reduced:	BrSCl2N3O3H24C27 (1)
Stoich.:	ABC2D3E3F24G27 (1)
Weight, g/mol:	374.037271
ΔH_f, kcal/mol:	-63.05
Dipole, Da:	7.12
IP(EA), eV:	-8.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations