Geometry & MOs

Info

ID:

434222

PubChem CID:

135174455

Reduced:

FP2S2O9N10C20H25 (1)

Stoich.:

AB2C2D9E10F20G25 (1)

Weight, g/mol:

712.038321

ΔHf, kcal/mol:

-451.18

Dipole, Da:

10.67

IP(EA), eV:

 -8.96(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC(C1OP(=O)(OCC2CC(C(O2)N3C=NC4=C(N=CN=C43)N)F)S)N5C=NC6=C5NC(=NC6=O)N)COP(=S)(O)O

DOS

IR

Vibrations