Geometry & MOs

Info

ID:	10014
PubChem CID:	96242
Reduced:	SO3N5C9H13 (1)
Stoich.:	AB3C5D9E13 (1)
Weight, g/mol:	271.07391
ΔH_f, kcal/mol:	-26.25
Dipole, Da:	5.99
IP(EA), eV:	-10.05(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-1H-purine-6-sulfonamide

Drug info:

PubChemData

Smile

COCCCNS(=O)(=O)C1=C2C(=NC=N2)N=CN1

DOS

IR

Vibrations