Geometry & MOs

Info

ID:

442946

PubChem CID:

135257013

Reduced:

SP2N5O12C22H31 (1)

Stoich.:

AB2C5D12E22F31 (1)

Weight, g/mol:

591.042028

ΔHf, kcal/mol:

-550.18

Dipole, Da:

3.01

IP(EA), eV:

 -8.53(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,5R)-5-[5-[3-(butanoylamino)prop-1-ynyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)CSCO[C@H]2CC(O[C@@H]2COP(=O)(O)OP(=O)(O)OC)N3C=NC4=C(N=CN=C43)N)OC

DOS

IR

Vibrations