Geometry & MOs

Info

ID:	397680
PubChem CID:	135030569
Reduced:	FNO4C12H18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	583.776921
ΔH_f, kcal/mol:	-209.54
Dipole, Da:	4.33
IP(EA), eV:	-9.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@](C2(C1)COC2)(C=O)F

DOS

IR

Vibrations