Geometry & MOs

Info

ID:	332745
PubChem CID:	127251055
Reduced:	FSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	403.111439
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	9.16
IP(EA), eV:	-9.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations