Geometry & MOs

Info

ID:

438335

PubChem CID:

135228068

Reduced:

N5O14C26H51 (1)

Stoich.:

A5B14C26D51 (1)

Weight, g/mol:

454.227493

ΔHf, kcal/mol:

-649.05

Dipole, Da:

6.41

IP(EA), eV:

 -9.34(0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-5-amino-6-[4,6-diamino-2-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1CC(C(C(C1O)O)OC2C(C(C(C(O2)CO)O)OCOC3C(C(OC(C3O)CO)OC4C(CC(C(C4O)O)N)N)N)N)N

DOS

IR

Vibrations