Geometry & MOs

Info

ID:

434160

PubChem CID:

135174323

Reduced:

P2N11O13C19H27 (1)

Stoich.:

A2B11C13D19E27 (1)

Weight, g/mol:

711.068225

ΔHf, kcal/mol:

-555.45

Dipole, Da:

12.09

IP(EA), eV:

 -9.06(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(2R,3R,5S)-3-[[(2R)-2-[(1R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]-3-fluoropropoxy]-sulfanylphosphoryl]oxy-5-(dihydroxyphosphinothioyloxymethyl)thiolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@H](OC[C@@]1(N2C3=NC=NC(=C3NN2)N)O)COP(=O)(O)OC4(CO[C@@H]([C@H]4O)COP(=O)(O)O)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations