Geometry & MOs

Info

ID:	392720
PubChem CID:	135017738
Reduced:	BNO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	534.340807
ΔH_f, kcal/mol:	-127.25
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897048
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,5R,6S)-2,4-dihydroxy-5-tri(propan-2-yl)silyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

[B-]12(OCC(CO1)(CO2)C)C3=C(C=CC=N3)C

DOS

IR

Vibrations