Geometry & MOs

Info

ID:

1443

PubChem CID:

4454

Reduced:

N6O13C23H46 (1)

Stoich.:

A6B13C23D46 (1)

Weight, g/mol:

614.312286

ΔHf, kcal/mol:

-585.34

Dipole, Da:

5.36

IP(EA), eV:

 -9.56(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations