Geometry & MOs

Info

ID:	17029
PubChem CID:	482479
Reduced:	N2F4O5C10H10 (1)
Stoich.:	A2B4C5D10E10 (1)
Weight, g/mol:	314.052584
ΔH_f, kcal/mol:	-414.15
Dipole, Da:	6.65
IP(EA), eV:	-10.66(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations