Geometry & MOs

Info

ID:

434434

PubChem CID:

135174920

Reduced:

P2N9O11C21H27 (1)

Stoich.:

A2B9C11D21E27 (1)

Weight, g/mol:

659.125441

ΔHf, kcal/mol:

-486.44

Dipole, Da:

7.14

IP(EA), eV:

 -8.97(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl [(3S,4S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)OC2CC(OC2N3C=CC4=C3NC(=NC4=O)N)COP(=O)(O)O)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations