Geometry & MOs

Info

ID:	45613
PubChem CID:	10515591
Reduced:	O2F6H8C9 (1)
Stoich.:	A2B6C8D9 (1)
Weight, g/mol:	262.042356
ΔH_f, kcal/mol:	-379.98
Dipole, Da:	2.75
IP(EA), eV:	-11.1(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1C[C@@]2(C(=C([C@H]1O2)C(F)(F)F)C(F)(F)F)CO

DOS

IR

Vibrations