Geometry & MOs

Info

ID:	337570
PubChem CID:	127258193
Reduced:	FN3O5C9H12 (1)
Stoich.:	AB3C5D9E12 (1)
Weight, g/mol:	274.062343
ΔH_f, kcal/mol:	-247.34
Dipole, Da:	2.5
IP(EA), eV:	-10.16(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-4-sulfanylidenepyrimidin-2-one

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N)O)F

DOS

IR

Vibrations