Geometry & MOs

Info

ID:

402808

PubChem CID:

135057355

Reduced:

O5H26C30 (1)

Stoich.:

A5B26C30 (1)

Weight, g/mol:

614.018947

ΔHf, kcal/mol:

-93.76

Dipole, Da:

3.28

IP(EA), eV:

 -8.24(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

[(2S,3R)-4-[[[(2S,3R,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]peroxy-oxidophosphoryl]oxy-1,3-dihydroxy-2-methylbutan-2-yl] phosphate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)OC(C3C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)O)O

DOS

IR

Vibrations