Geometry & MOs

Info

ID:	16024
PubChem CID:	457973
Reduced:	O4N8C13H14 (1)
Stoich.:	A4B8C13D14 (1)
Weight, g/mol:	346.113801
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	5.32
IP(EA), eV:	-10.17(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N3C=NC=N3)N=[N+]=[N-]

DOS

IR

Vibrations