Geometry & MOs

Info

ID:	16388
PubChem CID:	466425
Reduced:	BrFN2O5C11H12 (1)
Stoich.:	ABC2D5E11F12 (1)
Weight, g/mol:	349.99136
ΔH_f, kcal/mol:	-236.84
Dipole, Da:	6.04
IP(EA), eV:	-9.45(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromoethenyl)-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]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=CBr

DOS

IR

Vibrations