Geometry & MOs

Info

ID:	9747
PubChem CID:	93036
Reduced:	BrPN2O8C9H12 (1)
Stoich.:	ABC2D8E9F12 (1)
Weight, g/mol:	385.95146
ΔH_f, kcal/mol:	-400.8
Dipole, Da:	4.27
IP(EA), eV:	-9.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O

DOS

IR

Vibrations