Geometry & MOs

Info

ID:

434291

PubChem CID:

135174604

Reduced:

P2N9O11C20H27 (1)

Stoich.:

A2B9C11D20E27 (1)

Weight, g/mol:

678.07557

ΔHf, kcal/mol:

-489.73

Dipole, Da:

12.65

IP(EA), eV:

 -9.54(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(2-amino-6-oxo-3H-purin-9-yl)-5-(phosphonooxymethyl)oxolan-3-yl] [(4R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)OC2CC(OC2COP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)NC\5=NC=NC(=O)/C5=C/N

DOS

IR

Vibrations