Geometry & MOs

Info

ID:	381403
PubChem CID:	134972123
Reduced:	O8C31H40 (1)
Stoich.:	A8B31C40 (1)
Weight, g/mol:	332.110732
ΔH_f, kcal/mol:	-322.61
Dipole, Da:	1.79
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1CC[C@@H](CO1)O[C@H]2C(C(CC(O2)C)O[C@H]3[C@H](CCCO3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations