Geometry & MOs

Info

ID:

323493

PubChem CID:

126675030

Reduced:

N3O6C12H23 (1)

Stoich.:

A3B6C12D23 (1)

Weight, g/mol:

393.2475

ΔHf, kcal/mol:

-262.42

Dipole, Da:

4.02

IP(EA), eV:

-9.62(0.47)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,5S,6S)-5-amino-6-[(1R,3R)-6-amino-2,3-dihydroxy-4-(2-methylpropylamino)cyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C([C@@H](C1N)O[C@@H]2C([C@H](C=C(O2)CO)O)N)O)O)N

DOS

IR

Vibrations