Geometry & MOs

Info

ID:

220193

PubChem CID:

85165346

Reduced:

NPS2O17C21H36 (1)

Stoich.:

ABC2D17E21F36 (1)

Weight, g/mol:

673.265654

ΔHf, kcal/mol:

-793.58

Dipole, Da:

10.42

IP(EA), eV:

 -9.01(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-azido-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl]oxyphosphinic acid

Drug info:

PubChemData

Smile

C1C(C(C(OC1(C(=O)O)OCCCSCCN=C=S)C(CO)O)OP(=O)(O)O)OC2C(C(C(C(O2)C(CO)O)O)O)O

DOS

IR

Vibrations