Geometry & MOs

Info

ID:	391136
PubChem CID:	135003054
Reduced:	SCl2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	327.89946
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	2.62
IP(EA), eV:	-8.97(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations