Geometry & MOs

Info

ID:	313822
PubChem CID:	126618113
Reduced:	BrClPN3O9C21H26 (1)
Stoich.:	ABCD3E9F21G26 (1)
Weight, g/mol:	323.97571
ΔH_f, kcal/mol:	-430.84
Dipole, Da:	5.25
IP(EA), eV:	-9.76(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)OC[C@H](C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC=CC=C3

DOS

IR

Vibrations