Geometry & MOs

Info

ID:

80477

PubChem CID:

49834652

Reduced:

N7O13C24H49 (1)

Stoich.:

A7B13C24D49 (1)

Weight, g/mol:

616.316702

ΔHf, kcal/mol:

-571.34

Dipole, Da:

7.86

IP(EA), eV:

 -9.33(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[(1R,2S,3S,4R,6S)-6-amino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(1,3-dihydroxypropan-2-ylamino)-2-hydroxycyclohexyl]oxy-6-[(3-hydroxypropylamino)methyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)N(CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CNCCCN)O)O)O)N

DOS

IR

Vibrations