Geometry & MOs

Info

ID:

311599

PubChem CID:

126595449

Reduced:

FPSO8N11C19H23 (1)

Stoich.:

ABCD8E11F19G23 (1)

Weight, g/mol:

615.115626

ΔHf, kcal/mol:

-292.41

Dipole, Da:

14.07

IP(EA), eV:

 -9.1(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(2R,3S,4S)-4-fluoro-3-hydroperoxy-5-[[(2S,3R,5R)-5-(6-oxo-3H-purin-9-yl)-2-(phosphanyloxymethyl)oxolan-3-yl]methoxyphosphanyloxy]oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@H]1OP(=S)(O)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C4=NC=NC(=C4N=N3)N)F)O)N5C=NC6=C5NC(=NC6=O)N)CO

DOS

IR

Vibrations