Geometry & MOs

Info

ID:	433864
PubChem CID:	135174007
Reduced:	ClNSO4C15H24 (1)
Stoich.:	ABCD4E15F24 (1)
Weight, g/mol:	486.189288
ΔH_f, kcal/mol:	-182.78
Dipole, Da:	7.45
IP(EA), eV:	-9.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[phenoxy-[2-(1H-pyrazol-4-ylmethoxy)ethylamino]phosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@]12[C@@H](C(CCC1=O)NC)C(=CS2(=O)=O)CCCl)O

DOS

IR

Vibrations