Geometry & MOs

Info

ID:	88281
PubChem CID:	49902729
Reduced:	BrClNSO4H15C22 (1)
Stoich.:	ABCDE4F15G22 (1)
Weight, g/mol:	417.96229
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	6.96
IP(EA), eV:	-8.78(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations