Geometry & MOs

Info

ID:	332785
PubChem CID:	127251209
Reduced:	FSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	403.111439
ΔH_f, kcal/mol:	-54.63
Dipole, Da:	8.83
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(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=C3C4=CC(=CC=C4)F

DOS

IR

Vibrations