Geometry & MOs

Info

ID:

404743

PubChem CID:

135070365

Reduced:

N3O3C11H11 (1)

Stoich.:

A3B3C11D11 (1)

Weight, g/mol:

655.25483

ΔHf, kcal/mol:

4.14

Dipole, Da:

1.24

IP(EA), eV:

 -9.27(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,5S)-2-[(2S,5S)-2-[(3S,6R)-5-acetamido-6-(2-azidoethoxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CO/C(=C(/C(=NOC)C1=CC=CC=C1)\[N+]#N)/[O-]

DOS

IR

Vibrations