Geometry & MOs

Info

ID:

446653

PubChem CID:

135276667

Reduced:

ON9H23C26 (1)

Stoich.:

AB9C23D26 (1)

Weight, g/mol:

557.307221

ΔHf, kcal/mol:

188.16

Dipole, Da:

12.86

IP(EA), eV:

 -8.45(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(8aS)-7-amino-6-(4,6-diamino-2-fluoro-3-hydroxycyclohexyl)oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-3-(3-amino-1-hydroxybutan-2-yl)oxypropane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(C7CC7)O)NN4)/C=C32

DOS

IR

Vibrations