Geometry & MOs

Info

ID:	237570
PubChem CID:	92719783
Reduced:	N2O7C13H14 (1)
Stoich.:	A2B7C13D14 (1)
Weight, g/mol:	310.080101
ΔH_f, kcal/mol:	-287.92
Dipole, Da:	7.24
IP(EA), eV:	-10.17(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,3aR,6S,6aS)-2-(2,4-dioxopyrimidin-1-yl)-3-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@@H]([C@H](C(=O)O2)OC(=O)C)O[C@H]1N3C=CC(=O)NC3=O

DOS

IR

Vibrations