Geometry & MOs

Info

ID:	429344
PubChem CID:	135169318
Reduced:	BrISN3H5C7 (1)
Stoich.:	ABCD3E5F7 (1)
Weight, g/mol:	256.038043
ΔH_f, kcal/mol:	74.91
Dipole, Da:	3.66
IP(EA), eV:	-8.8(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1E,3E)-penta-1,3-dienyl]thieno[2,3-f][1]benzothiole

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1C(=CN2SI)Br)N

DOS

IR

Vibrations