Geometry & MOs

Info

ID:

410431

PubChem CID:

135083227

Reduced:

N3O12C19H27 (1)

Stoich.:

A3B12C19D27 (1)

Weight, g/mol:

327.131802

ΔHf, kcal/mol:

-405.78

Dipole, Da:

4.07

IP(EA), eV:

 -10.05(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4R,5S)-5-hydroxy-6-[(2R,3S)-2-hydroxy-3-methyl-4-methylideneoxolan-2-yl]-1,3-dioxan-4-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)/C=N\O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=N/O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

DOS

IR

Vibrations