Geometry & MOs

Info

ID:	127518
PubChem CID:	51004691
Reduced:	FOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	304.134215
ΔH_f, kcal/mol:	-64.8
Dipole, Da:	3.8
IP(EA), eV:	-9.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,4R,5S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-3,4,8-trihydroxy-6-oxabicyclo[3.2.1]octan-7-one

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C=C[C@@]2(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations