Geometry & MOs

Info

ID:	49202
PubChem CID:	11528906
Reduced:	FNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	249.038354
ΔH_f, kcal/mol:	-130.06
Dipole, Da:	6.64
IP(EA), eV:	-9.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-fluoro-1-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)thietan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1CC1CCN2C3=C(C=C(C=C3)F)C(=O)OC2=O

DOS

IR

Vibrations