Geometry & MOs

Info

ID:	404866
PubChem CID:	135071536
Reduced:	SiO6C48H56 (1)
Stoich.:	AB6C48D56 (1)
Weight, g/mol:	524.04707
ΔH_f, kcal/mol:	-166.42
Dipole, Da:	3.37
IP(EA), eV:	-9.05(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5S)-3,4-dibenzoyloxy-5-bromooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3[C@H](C(C([C@@H](O3)OCCCC=C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations