Geometry & MOs

Info

ID:	225485
PubChem CID:	85852507
Reduced:	Cl7C16H27 (1)
Stoich.:	A7B16C27 (1)
Weight, g/mol:	241.975748
ΔH_f, kcal/mol:	-112.96
Dipole, Da:	2.49
IP(EA), eV:	-10.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[(3-chloro-2-methylprop-2-enyl)disulfanyl]-2-methylprop-1-ene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(C(C(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl

DOS

IR

Vibrations