Geometry & MOs

Info

ID:	190438
PubChem CID:	78005473
Reduced:	SN6O7C46H54 (1)
Stoich.:	AB6C7D46E54 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-190.33
Dipole, Da:	6.63
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C1=CN(C(=N1)C2=C(C=C(C=C2)C(=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N5CC6=CC=CC=C6CC5CO)CCN7CCOCC7

DOS

IR

Vibrations