Geometry & MOs

Info

ID:	394523
PubChem CID:	135023138
Reduced:	NSiO3C15H27 (1)
Stoich.:	ABC3D15E27 (1)
Weight, g/mol:	552.241806
ΔH_f, kcal/mol:	-179.0
Dipole, Da:	1.5
IP(EA), eV:	-8.76(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[[(3S,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methyl] 4-O-[[(3R,6R)-3,4,5,6-tetramethoxyoxan-2-yl]methyl] (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CCCC=CO[Si](C(C)C)(C(C)C)OCC1=COC=N1

DOS

IR

Vibrations