Geometry & MOs

Info

ID:

446660

PubChem CID:

135276706

Reduced:

ON3C17H21 (1)

Stoich.:

AB3C17D21 (1)

Weight, g/mol:

553.295907

ΔHf, kcal/mol:

-12.87

Dipole, Da:

4.17

IP(EA), eV:

 -8.3(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(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]-6-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NNC3=C2CCCCC3)C

DOS

IR

Vibrations