Geometry & MOs

Info

ID:	408228
PubChem CID:	135080990
Reduced:	ZnF8H8N8C32 (1)
Stoich.:	AB8C8D8E32 (1)
Weight, g/mol:	351.843088
ΔH_f, kcal/mol:	3.83
Dipole, Da:	0.31
IP(EA), eV:	-9.45(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[(1Z)-1,2,3,4,4-pentachlorobuta-1,3-dienyl]sulfanylbenzene

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C3=NC4=NC(=NC5=C6C(=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8F)F)C(=N7)N=C2[N-]3)F)F)C9=C4C(=CC(=C9)F)F)F)F.[Zn+2]

DOS

IR

Vibrations