Geometry & MOs

Info

ID:	332789
PubChem CID:	127251213
Reduced:	SF3N3O3C20H22 (1)
Stoich.:	AB3C3D3E20F22 (1)
Weight, g/mol:	397.155018
ΔH_f, kcal/mol:	-223.2
Dipole, Da:	7.55
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(3-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)N2CCOC(C2)C3=NC=CN=C3C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations