Geometry & MOs

Info

ID:	398916
PubChem CID:	135036270
Reduced:	O7C12H18 (1)
Stoich.:	A7B12C18 (1)
Weight, g/mol:	364.188589
ΔH_f, kcal/mol:	-333.71
Dipole, Da:	2.27
IP(EA), eV:	-10.42(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,6S)-3-acetyloxy-6-(4-tert-butylphenoxy)-2-methyloxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC1C([C@@H](C[C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations