Geometry & MOs

Info

ID:	87098
PubChem CID:	49892024
Reduced:	BrClFSN2O4H17C25 (1)
Stoich.:	ABCDE2F4G17H25 (1)
Weight, g/mol:	343.067843
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	3.83
IP(EA), eV:	-9.07(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-fluorophenyl)methyl]-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)NC4=CC=C(C=C4)Cl)Br)/SC2=O)F

DOS

IR

Vibrations