Geometry & MOs

Info

ID:	397681
PubChem CID:	135030571
Reduced:	O3Cl10C14H14 (1)
Stoich.:	A3B10C14D14 (1)
Weight, g/mol:	500.831391
ΔH_f, kcal/mol:	-193.8
Dipole, Da:	4.68
IP(EA), eV:	-10.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

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)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

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)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):