Geometry & MOs

Info

ID:

382331

PubChem CID:

134973413

Reduced:

N4O7C23H32 (1)

Stoich.:

A4B7C23D32 (1)

Weight, g/mol:

434.205301

ΔHf, kcal/mol:

-229.53

Dipole, Da:

6.58

IP(EA), eV:

 -9.64(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-3-acetamido-4-hydroxy-2-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)-1,2,3,4-tetrahydropyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC([C@@H](CC(=C)C(=O)OC(C)(C)C)O)C([C@H]1C(COC(O1)C2=CC=CC=C2)O)N=[N+]=[N-]

DOS

IR

Vibrations