Geometry & MOs

Info

ID:	306007
PubChem CID:	125000085
Reduced:	SO3N5C13H17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	5.99
IP(EA), eV:	-9.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[4-(dimethylamino)-6-methylpyridin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCO[C@H](C1)C2=NC=C(C=N2)CNS(=O)(=O)C3=CNN=C3

DOS

IR

Vibrations