Geometry & MOs

Info

ID:	51605
PubChem CID:	12014303
Reduced:	OCl3H6C7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	363.872766
ΔH_f, kcal/mol:	-80.21
Dipole, Da:	3.2
IP(EA), eV:	-9.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,4S,6S,7R,8S,9S,10R,12R)-1,9,10,11,11,12-hexachlorohexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations