Geometry & MOs

Info

ID:	336855
PubChem CID:	127255862
Reduced:	O7C13H22 (1)
Stoich.:	A7B13C22 (1)
Weight, g/mol:	412.184566
ΔH_f, kcal/mol:	-320.91
Dipole, Da:	1.61
IP(EA), eV:	-9.56(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-4-(2,2-dimethylpropanoyloxy)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C=CO1)O)O[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO

DOS

IR

Vibrations