Geometry & MOs

Info

ID:	332744
PubChem CID:	127251054
Reduced:	FSO3N5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	403.111439
ΔH_f, kcal/mol:	-75.77
Dipole, Da:	7.3
IP(EA), eV:	-9.36(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3-fluorophenyl)pyrazin-2-yl]-4-(1-methylimidazol-4-yl)sulfonylmorpholine

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)S(=O)(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC=CC=C4F

DOS

IR

Vibrations