Geometry & MOs

Info

ID:

1557

PubChem CID:

4689

Reduced:

N5O14C23H45 (1)

Stoich.:

A5B14C23D45 (1)

Weight, g/mol:

615.296301

ΔHf, kcal/mol:

-628.79

Dipole, Da:

7.66

IP(EA), eV:

 -9.39(0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol

Drug info:

PubChemData

Smile

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N

DOS

IR

Vibrations