Geometry & MOs

Info

ID:	17241
PubChem CID:	489868
Reduced:	PN5O6C20H28 (1)
Stoich.:	AB5C6D20E28 (1)
Weight, g/mol:	465.177721
ΔH_f, kcal/mol:	-255.24
Dipole, Da:	5.33
IP(EA), eV:	-9.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-5-(1-adamantyloxyphosphonoyloxymethyl)-4-azidooxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)OC34CC5CC(C3)CC(C5)C4)N=[N+]=[N-]

DOS

IR

Vibrations