Geometry & MOs

Info

ID:	397944
PubChem CID:	135031116
Reduced:	O6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	359.993421
ΔH_f, kcal/mol:	-240.11
Dipole, Da:	3.94
IP(EA), eV:	-9.97(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3-acetyloxy-6-(2,2,2-trichloroethoxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C=C[C@@H](O1)OCC=C)OC(=O)C

DOS

IR

Vibrations