Geometry & MOs

Info

ID:	425078
PubChem CID:	135125080
Reduced:	FNO5H30C31 (1)
Stoich.:	ABC5D30E31 (1)
Weight, g/mol:	315.097897
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	3.25
IP(EA), eV:	-8.85(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-5-(2-azidoethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC#CC(CC(=O)OC)C1=CC=C(C=C1)O[C@@H]2CCC3=C(C=CC(=C23)F)C4=CC(=CN=C4)O[C@@H]5CCOC5

DOS

IR

Vibrations