Geometry & MOs

Info

ID:

297215

PubChem CID:

117613278

Reduced:

FPN5O8C32H39 (1)

Stoich.:

ABC5D8E32F39 (1)

Weight, g/mol:

257.11757

ΔHf, kcal/mol:

-364.02

Dipole, Da:

3.42

IP(EA), eV:

 -8.45(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC(C)(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC3=C2N=C(N=C3OC)N)(C=C)O)F)OC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations