Geometry & MOs

Info

ID:	433869
PubChem CID:	135174012
Reduced:	ClNSO5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	502.155212
ΔH_f, kcal/mol:	-178.53
Dipole, Da:	4.97
IP(EA), eV:	-9.58(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-[[phenoxy-[2-(thiophen-3-ylmethoxy)ethylamino]phosphoryl]methoxy]propyl]purin-6-amine

Drug info:

PubChemData

Smile

CN1[C@H]2C(C(=O)S(=O)(=O)[C@]2(C1=O)[C@H]([C@H]3CCCC=C3)O)CCCl

DOS

IR

Vibrations