Geometry & MOs

Info

ID:

434293

PubChem CID:

135174607

Reduced:

P2S2N9O9C21H27 (1)

Stoich.:

A2B2C9D9E21F27 (1)

Weight, g/mol:

675.08484

ΔHf, kcal/mol:

-413.16

Dipole, Da:

9.23

IP(EA), eV:

 -8.82(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(3R)-3-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)OC2CC(OC2COP(=O)(O)S)N3C=CC4=C(N=CN=C43)N)N5C=NC6=C5NC(=NC6=O)N

DOS

IR

Vibrations