Geometry & MOs

Info

ID:

446672

PubChem CID:

135276828

Reduced:

N6O13C24H46 (1)

Stoich.:

A6B13C24D46 (1)

Weight, g/mol:

624.344254

ΔHf, kcal/mol:

-588.58

Dipole, Da:

6.2

IP(EA), eV:

 -9.45(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[6-[[(8aS)-7-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]ethyl]guanidine

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](CC(C(O2)OC3C(CC(C(C3O)O)N)N)N)OC1OC4C(C(C(C(O4)CO)NC(=O)[C@H](CO)N)O)O)O

DOS

IR

Vibrations