Geometry & MOs

Info

ID:	87776
PubChem CID:	49897243
Reduced:	SBr2N2O5H14C19 (1)
Stoich.:	AB2C2D5E14F19 (1)
Weight, g/mol:	393.063071
ΔH_f, kcal/mol:	-125.27
Dipole, Da:	3.16
IP(EA), eV:	-8.99(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)Br

DOS

IR

Vibrations