Geometry & MOs

Info

ID:

434221

PubChem CID:

135174454

Reduced:

F2P2S3O8N10C21H30 (1)

Stoich.:

A2B2C3D8E10F21G30 (1)

Weight, g/mol:

694.070667

ΔHf, kcal/mol:

-459.25

Dipole, Da:

6.53

IP(EA), eV:

 -8.91(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[3-[[5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CNN(C1C[C@@H](C(S1)COP(=S)(O)OC2C(OC(C2F)N3C=CC4=C(N=CN=C43)N)COP(=O)(O)S)F)C5=C(C(=O)N=C(N5)N)N

DOS

IR

Vibrations