Geometry & MOs

Info

ID:

329057

PubChem CID:

126730839

Reduced:

N6O7C37H46 (1)

Stoich.:

A6B7C37D46 (1)

Weight, g/mol:

436.008426

ΔHf, kcal/mol:

-185.57

Dipole, Da:

6.39

IP(EA), eV:

 -8.91(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methyl phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(CN3C(=C2)C4=NC5=CC=CC=C5C=C4C3=O)COC1=O)OC(=O)COC(C)(C)CCOC(C)(C)CCN6C=C(N=N6)CN(C)C

DOS

IR

Vibrations