Geometry & MOs

Info

ID:

446104

PubChem CID:

135272390

Reduced:

N6O10C23H46 (1)

Stoich.:

A6B10C23D46 (1)

Weight, g/mol:

565.307141

ΔHf, kcal/mol:

-465.27

Dipole, Da:

5.5

IP(EA), eV:

 -9.28(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4S)-6-[[(8aS)-7-amino-6-[(6R)-2,4-diamino-6-hydroxycyclohexyl]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]guanidine

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](CC(C(O2)OC3CC(C(CC3N)N)O)N)OC1OC4C([C@H](C(C(O4)CO)NCCN)O)O)O

DOS

IR

Vibrations