Geometry & MOs

Info

ID:	331909
PubChem CID:	127250195
Reduced:	SO2F3N4H19C21 (1)
Stoich.:	AB2C3D4E19F21 (1)
Weight, g/mol:	446.156575
ΔH_f, kcal/mol:	-139.25
Dipole, Da:	4.24
IP(EA), eV:	-9.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations