Geometry & MOs

Info

ID:

438334

PubChem CID:

135228067

Reduced:

N5O12C23H45 (1)

Stoich.:

A5B12C23D45 (1)

Weight, g/mol:

657.343251

ΔHf, kcal/mol:

-564.87

Dipole, Da:

7.21

IP(EA), eV:

 -9.4(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-[3-amino-4-[[3-amino-2-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxymethoxy]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methylcyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)[C@@H](C)O)O)O)N)N)NC(=O)[C@H](CCN)O)O)O)O)N

DOS

IR

Vibrations