Geometry & MOs

Info

ID:	361932
PubChem CID:	127304928
Reduced:	FSN3O3C19H24 (1)
Stoich.:	ABC3D3E19F24 (1)
Weight, g/mol:	392.164854
ΔH_f, kcal/mol:	-145.67
Dipole, Da:	6.47
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CNC3=C2C=CC(=C3)F)C(=O)CN4CCS(=O)(=O)CC4

DOS

IR

Vibrations