Geometry & MOs

Info

ID:	163287
PubChem CID:	57699136
Reduced:	ClS2O3N6C17H23 (1)
Stoich.:	AB2C3D6E17F23 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-60.19
Dipole, Da:	2.2
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclopropylethoxy)-8-methoxy-9-[2-(oxan-3-yl)ethyl]purin-6-amine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCN2CCNC2=O)[C@@H](C)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations