Geometry & MOs

Info

ID:	406051
PubChem CID:	135076361
Reduced:	OCl2C6H10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	591.983776
ΔH_f, kcal/mol:	-68.24
Dipole, Da:	2.99
IP(EA), eV:	-9.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-1,4,4-tris[(4-fluorophenyl)sulfanyl]buta-1,3-dienyl]sulfanyl-4-fluorobenzene

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C\Cl)/Cl

DOS

IR

Vibrations