Geometry & MOs

Info

ID:

446106

PubChem CID:

135272407

Reduced:

N7O9C24H49 (1)

Stoich.:

A7B9C24D49 (1)

Weight, g/mol:

610.317371

ΔHf, kcal/mol:

-415.27

Dipole, Da:

4.79

IP(EA), eV:

 -9.21(1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(3S,4S)-6-[[(8aS)-7-amino-6-[(1S,2R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-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-aminopropanamide

Drug info:

PubChemData

Smile

CC1C([C@@H](C(C(O1)OC2C(C(C3[C@@H](O2)CC(C(O3)OC4CC(C(CC4N)N)O)N)O)NC)O)O)NC(CN)CN

DOS

IR

Vibrations