Geometry & MOs

Info

ID:	16386
PubChem CID:	466387
Reduced:	F3N3O4C9H10 (1)
Stoich.:	A3B3C4D9E10 (1)
Weight, g/mol:	281.06234
ΔH_f, kcal/mol:	-285.31
Dipole, Da:	6.15
IP(EA), eV:	-9.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations