Geometry & MOs

Info

ID:	13415
PubChem CID:	230398
Reduced:	NO18C28H37 (1)
Stoich.:	AB18C28D37 (1)
Weight, g/mol:	675.201063
ΔH_f, kcal/mol:	-779.56
Dipole, Da:	3.96
IP(EA), eV:	-10.49(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(2,3,4,5-tetraacetyloxy-5-cyanopentoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCC(C(C(C(C#N)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations