Geometry & MOs

Info

ID:	434214
PubChem CID:	135174443
Reduced:	PSO4N5C10H14 (1)
Stoich.:	ABC4D5E10F14 (1)
Weight, g/mol:	314.078007
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	10.12
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(SC1COP(=O)O)N2C=NC3=C2NC(=NC3=O)N

DOS

IR

Vibrations