Geometry & MOs

Info

ID:

446657

PubChem CID:

135276692

Reduced:

N3O6C12H23 (2)

Stoich.:

A3B6C12D23 (2)

Weight, g/mol:

525.281006

ΔHf, kcal/mol:

-557.57

Dipole, Da:

5.33

IP(EA), eV:

 -9.34(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-7-amino-2-[5-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(4,6-diamino-2-fluoro-3-hydroxycyclohexyl)oxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1C(OC(C(C1O)O)OC2C(C(C3[C@@H](O2)CC(C(O3)OC4C(CC(C(C4O)O)N)N)N)O)NC)CO)N

DOS

IR

Vibrations