Geometry & MOs

Info

ID:	343695
PubChem CID:	127266871
Reduced:	SO3N6C13H20 (1)
Stoich.:	AB3C6D13E20 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	9.21
IP(EA), eV:	-9.19(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(6-methoxypyrimidin-4-yl)amino]propyl]-1-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)NCCCNC2=CC(=NC=N2)OC

DOS

IR

Vibrations