Geometry & MOs

Info

ID:	337571
PubChem CID:	127258194
Reduced:	SN2O5C10H14 (1)
Stoich.:	AB2C5D10E14 (1)
Weight, g/mol:	438.088615
ΔH_f, kcal/mol:	-191.09
Dipole, Da:	4.79
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-3,4-diacetyloxy-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=S)NC2=O)CO)O

DOS

IR

Vibrations