Geometry & MOs

Info

ID:

392516

PubChem CID:

135017005

Reduced:

F2N3O10C33H35 (1)

Stoich.:

A2B3C10D33E35 (1)

Weight, g/mol:

396.098036

ΔHf, kcal/mol:

-460.21

Dipole, Da:

5.24

IP(EA), eV:

 -9.46(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-5-[[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=NC1C([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3)(F)F)OC[C@@H]4[C@@H]5[C@H]([C@@H](O4)N6C=CC(=O)NC6=O)OC(O5)(C)C

DOS

IR

Vibrations