Geometry & MOs

Info

ID:	332746
PubChem CID:	127251056
Reduced:	FSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	419.200905
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	8.0
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC=CC=C4F

DOS

IR

Vibrations