Geometry & MOs

Info

ID:	125233
PubChem CID:	50916147
Reduced:	CaFSO4N5H22C23 (1)
Stoich.:	ABCD4E5F22G23 (1)
Weight, g/mol:	449.161166
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	9.9
IP(EA), eV:	-4.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(2S)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholin-4-yl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(=O)NS(=O)(=O)C1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)OCC#C)F)C.[Ca+2]

DOS

IR

Vibrations