Geometry & MOs

Info

ID:	397873
PubChem CID:	135030875
Reduced:	O3Cl9H13C14 (1)
Stoich.:	A3B9C13D14 (1)
Weight, g/mol:	416.896635
ΔH_f, kcal/mol:	-163.41
Dipole, Da:	5.74
IP(EA), eV:	-9.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,3R,5R,7S,10S,11S)-11-methyl-3,5-bis(trichloromethyl)-2,4-dioxatricyclo[5.3.1.03,11]undecan-10-olate

Drug info:

PubChemData

Smile

C[C@]12[C@H]3CC[C@@H]([C@H]1O[C@]2(O[C@H](C3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)OC(=C(Cl)Cl)Cl

DOS

IR

Vibrations