Geometry & MOs

Info

ID:	397794
PubChem CID:	135030738
Reduced:	O6C39H44 (1)
Stoich.:	A6B39C44 (1)
Weight, g/mol:	687.23213
ΔH_f, kcal/mol:	-144.92
Dipole, Da:	2.66
IP(EA), eV:	-9.22(0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,5R)-2-[2-(bromomethyl)oxolan-1-ium-1-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

C=CCCCO[C@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations