Geometry & MOs

Info

ID:	20870
PubChem CID:	586238
Reduced:	SO4N5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	405.147075
ΔH_f, kcal/mol:	-90.59
Dipole, Da:	12.94
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-hydroxy-5-(6-oxo-3H-purin-9-yl)hexyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CO)N2C=NC3=C2NC=NC3=O

DOS

IR

Vibrations