Geometry & MOs

Info

ID:	17591
PubChem CID:	507022
Reduced:	FN3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	281.081184
ΔH_f, kcal/mol:	-168.51
Dipole, Da:	1.8
IP(EA), eV:	-9.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C=C(C#N)F)O

DOS

IR

Vibrations