Geometry & MOs

Info

ID:	7360
PubChem CID:	72264
Reduced:	F2N3O3C9H11 (1)
Stoich.:	A2B3C3D9E11 (1)
Weight, g/mol:	247.076848
ΔH_f, kcal/mol:	-202.34
Dipole, Da:	7.83
IP(EA), eV:	-10.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)F

DOS

IR

Vibrations