Geometry & MOs

Info

ID:	397945
PubChem CID:	135031117
Reduced:	ClO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	368.219889
ΔH_f, kcal/mol:	-284.75
Dipole, Da:	3.05
IP(EA), eV:	-10.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3-acetyloxy-6-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations