Geometry & MOs

Info

ID:

311596

PubChem CID:

126595424

Reduced:

PS2F3O7N11C20H23 (1)

Stoich.:

AB2C3D7E11F20G23 (1)

Weight, g/mol:

703.13908

ΔHf, kcal/mol:

-355.74

Dipole, Da:

12.82

IP(EA), eV:

 -9.35(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(2-hydroxyethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-3-yl]oxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

CC1([C@H](O[C@H](C1(F)F)N2C3=NC=NC(=C3N=N2)N)COP(=S)(O)O[C@@H]4[C@H]([C@H](S[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)F)O

DOS

IR

Vibrations