Geometry & MOs

Info

ID:	396637
PubChem CID:	135028969
Reduced:	OSiC27H34 (1)
Stoich.:	ABC27D34 (1)
Weight, g/mol:	440.131862
ΔH_f, kcal/mol:	-53.21
Dipole, Da:	2.47
IP(EA), eV:	-8.88(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations