Geometry & MOs

Info

ID:	381486
PubChem CID:	134972241
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	473.202235
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	3.19
IP(EA), eV:	-9.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR,7R,7aR)-5-oxido-2-phenyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyridin-5-ium-7-yl]oxy-tert-butyl-diphenylsilane

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H](C=[N+]1[O-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations