Geometry & MOs

Info

ID:	378173
PubChem CID:	134224249
Reduced:	PF3N3O9C22H25 (1)
Stoich.:	AB3C3D9E22F25 (1)
Weight, g/mol:	266.046963
ΔH_f, kcal/mol:	-564.9
Dipole, Da:	3.92
IP(EA), eV:	-9.45(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3S,4R,5R)-3-chloro-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC=C)NP(=O)(OC[C@H]1[C@@H](C[C@H](O1)N2C=C(C(=O)NC2=O)C(F)(F)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations