Geometry & MOs

Info

ID:

387474

PubChem CID:

134985507

Reduced:

NSCl3O6C9H14 (1)

Stoich.:

ABC3D6E9F14 (1)

Weight, g/mol:

414.148574

ΔHf, kcal/mol:

-275.08

Dipole, Da:

3.02

IP(EA), eV:

 -10.6(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]-oxidoamino]-oxoazanium

Drug info:

PubChemData

Smile

CCC(=O)C(C(=O)OCC)NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations