Geometry & MOs

Info

ID:	391790
PubChem CID:	135009627
Reduced:	NO2Cl3F3H7C8 (1)
Stoich.:	AB2C3D3E7F8 (1)
Weight, g/mol:	316.188589
ΔH_f, kcal/mol:	-234.36
Dipole, Da:	9.08
IP(EA), eV:	-9.83(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxyhex-5-enyl] acetate

Drug info:

PubChemData

Smile

CN(C)/C=C(/C(=O)C(F)(F)F)\C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations