Geometry & MOs

Info

ID:	398398
PubChem CID:	135033111
Reduced:	BSiF3O4C23H31 (1)
Stoich.:	ABC3D4E23F31 (1)
Weight, g/mol:	243.121906
ΔH_f, kcal/mol:	-410.45
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.094495
Charge, e:	0

Chem-info

IUPAC name:

(4R,6R)-6-(azidomethyl)-2,2-diethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol

Drug info:

PubChemData

Smile

[B-]1(OCC(CO1)(C)C)(C2=CC=C(C=C2)C(F)(F)F)C(C3=CC=C(C=C3)OC)O[Si](C)(C)C

DOS

IR

Vibrations