Geometry & MOs

Info

ID:	397540
PubChem CID:	135030364
Reduced:	O3Cl6C12H14 (1)
Stoich.:	A3B6C12D14 (1)
Weight, g/mol:	416.896635
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	6.24
IP(EA), eV:	-10.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1aS,3aS,5R,7R,7aS,7bR)-7a-methyl-5,7-bis(trichloromethyl)-2,3,3a,4,5,7b-hexahydro-1aH-oxireno[2,3-h]isochromen-7-olate

Drug info:

PubChemData

Smile

CC12C3CCC(C1OC2(OC(C3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)O

DOS

IR

Vibrations