Geometry & MOs

Info

ID:	88138
PubChem CID:	49901827
Reduced:	BrClSN2O7H16C25 (1)
Stoich.:	ABCD2E7F16G25 (1)
Weight, g/mol:	344.046693
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	7.84
IP(EA), eV:	-9.5(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations