Geometry & MOs

Info

ID:	337572
PubChem CID:	127258195
Reduced:	N2F3O9C16H17 (1)
Stoich.:	A2B3C9D16E17 (1)
Weight, g/mol:	586.158745
ΔH_f, kcal/mol:	-553.99
Dipole, Da:	6.26
IP(EA), eV:	-10.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=C(C(=O)NC2=O)C(F)(F)F)OC(=O)C)OC(=O)C

DOS

IR

Vibrations