Geometry & MOs

Info

ID:

446105

PubChem CID:

135272406

Reduced:

N7O10C22H43 (1)

Stoich.:

A7B10C22D43 (1)

Weight, g/mol:

579.359176

ΔHf, kcal/mol:

-441.08

Dipole, Da:

5.03

IP(EA), eV:

 -9.35(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-2-[[(8aS)-7-amino-6-(2,4-diamino-5-hydroxycyclohexyl)oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-(1,3-diaminopropan-2-ylamino)-6-methyloxane-3,4-diol

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](CC(C(O2)OC3[C@@H](CC(CC3N)N)O)N)OC1OC4C([C@H](C(C(O4)CO)N=C(N)N)O)O)O

DOS

IR

Vibrations