Geometry & MOs

Info

ID:	337558
PubChem CID:	127258181
Reduced:	FN3O4C9H12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	495.127779
ΔH_f, kcal/mol:	-176.58
Dipole, Da:	9.75
IP(EA), eV:	-9.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-4-acetyloxy-3-benzoyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1=CN(C(=NC1=O)N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F

DOS

IR

Vibrations