Geometry & MOs

Info

ID:	446015
PubChem CID:	135271555
Reduced:	PSO3N5C11H16 (1)
Stoich.:	ABC3D5E11F16 (1)
Weight, g/mol:	418.171316
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	3.72
IP(EA), eV:	-9.0(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4S,5R)-5-(azidomethyl)-3-hydroxy-4-prop-2-enoxyoxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CC(CC1COP(=S)(O)O)N2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations