Geometry & MOs

Info

ID:

446674

PubChem CID:

135276843

Reduced:

N2O5C9H17 (2)

Stoich.:

A2B5C9D17 (2)

Weight, g/mol:

452.211843

ΔHf, kcal/mol:

-459.54

Dipole, Da:

3.98

IP(EA), eV:

 -9.6(0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[[(8aS)-7-amino-4,6-dihydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]-2-aminoacetamide

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](CC(C(O2)O)N)OC1OC3C(CC(C(O3)CO)NC(=O)[C@H](CO)N)O)O

DOS

IR

Vibrations