Geometry & MOs

Info

ID:

188994

PubChem CID:

77799138

Reduced:

ClF2O2N5H28C30 (1)

Stoich.:

AB2C2D5E28F30 (1)

Weight, g/mol:

879.404115

ΔHf, kcal/mol:

-57.48

Dipole, Da:

8.16

IP(EA), eV:

 -8.88(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(1-imidazol-1-ylpropylamino)purin-9-ium-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C=C(C1CCN(CC1C2=CC(=C(C=C2)F)F)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N)OC5=NC=C(C=C5)Cl

DOS

IR

Vibrations