Geometry & MOs

Info

ID:

446673

PubChem CID:

135276840

Reduced:

N8O11C24H48 (1)

Stoich.:

A8B11C24D48 (1)

Weight, g/mol:

466.227493

ΔHf, kcal/mol:

-474.34

Dipole, Da:

3.49

IP(EA), eV:

 -9.32(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-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]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]-2-amino-3-hydroxypropanamide

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](CC(C(O2)OC3C(CC(C(C3O)O)N)N)N)OC1OC4C(C(C(C(O4)CO)NCCN=C(N)N)O)O)O

DOS

IR

Vibrations