Geometry & MOs

Info

ID:

434211

PubChem CID:

135174440

Reduced:

PSN4O5C10H13 (1)

Stoich.:

ABC4D5E10F13 (1)

Weight, g/mol:

697.04518

ΔHf, kcal/mol:

-203.13

Dipole, Da:

11.81

IP(EA), eV:

 -9.52(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)O)C2=CN=C3N2NC=NC3=O

DOS

IR

Vibrations