Geometry & MOs

Info

ID:	306041
PubChem CID:	125000867
Reduced:	SN2O4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	4.2
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(4-amino-6-methylpyridin-2-yl)morpholin-4-yl]-pyridazin-3-ylmethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(C[C@H](C1)COC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations