Geometry & MOs

Info

ID:	161136
PubChem CID:	57390856
Reduced:	FSO2N5H18C23 (1)
Stoich.:	ABC2D5E18F23 (1)
Weight, g/mol:	392.028935
ΔH_f, kcal/mol:	70.01
Dipole, Da:	5.79
IP(EA), eV:	-8.25(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-(1-oxo-3H-2-benzofuran-5-yl)-1-benzothiophen-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC\1=NNS/C1=C\2/C(=C/C3=CN(C4=C3C(=CC=C4)OCC5=CC=C(C=C5)F)C)/C(=O)N=N2

DOS

IR

Vibrations