Geometry & MOs

Info

ID:

382341

PubChem CID:

134973427

Reduced:

N3O12H35C39 (1)

Stoich.:

A3B12C35D39 (1)

Weight, g/mol:

540.27546

ΔHf, kcal/mol:

-320.66

Dipole, Da:

1.13

IP(EA), eV:

 -10.03(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4S,5R)-6-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-2-methoxy-4-phenylmethoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@]1(C[C@@H]([C@H](C(O1)[C@@H]([C@@H](COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)N=[N+]=[N-])OC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations