Geometry & MOs

Info

ID:	46804
PubChem CID:	10527463
Reduced:	N2O5C26H28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-142.88
Dipole, Da:	10.85
IP(EA), eV:	-8.47(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2S,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)O)O2

DOS

IR

Vibrations