Geometry & MOs

Info

ID:	331704
PubChem CID:	127249787
Reduced:	FSO3N5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	3.44
IP(EA), eV:	-8.96(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-5-[2-oxo-2-[2-[6-(pyridin-2-ylamino)pyridin-2-yl]morpholin-4-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)COC4=CC=CC=C4F

DOS

IR

Vibrations