Geometry & MOs

Info

ID:

311591

PubChem CID:

126594387

Reduced:

FPSO8N10C22H28 (1)

Stoich.:

ABCD8E10F22G28 (1)

Weight, g/mol:

672.09775

ΔHf, kcal/mol:

-322.62

Dipole, Da:

14.86

IP(EA), eV:

 -9.16(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(3S,5R)-2-[[[(2R,3R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-5-(2-hydroxyethyl)oxolan-3-yl]-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-3-yl]oxy-oxo-sulfanylphosphanium

Drug info:

PubChemData

Smile

C[C@]1([C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC)O)COP(=S)([C@@H]4[C@H]([C@H](O[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)F)O

DOS

IR

Vibrations