Geometry & MOs

Info

ID:

434150

PubChem CID:

135174313

Reduced:

PN4O6C11H15 (1)

Stoich.:

AB4C6D11E15 (1)

Weight, g/mol:

710.047823

ΔHf, kcal/mol:

-272.78

Dipole, Da:

2.75

IP(EA), eV:

 -8.71(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[5-(5-amino-7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)thiolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methoxy-sulfanylphosphinic acid

Drug info:

PubChemData

Smile

C1[C@H](C(OC1COP(=O)(O)O)N2C=CC3=C(N=CN=C32)N)O

DOS

IR

Vibrations