Geometry & MOs

Info

ID:	16233
PubChem CID:	462388
Reduced:	FSN2O4C10H13 (1)
Stoich.:	ABC2D4E10F13 (1)
Weight, g/mol:	276.058006
ΔH_f, kcal/mol:	-221.35
Dipole, Da:	4.0
IP(EA), eV:	-9.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R,4R,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@@H](S2)CO)O)F

DOS

IR

Vibrations