Geometry & MOs

Info

ID:	185054
PubChem CID:	77248068
Reduced:	BrSF2N2O2C16H19 (1)
Stoich.:	ABC2D2E2F16G19 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-169.83
Dipole, Da:	2.96
IP(EA), eV:	-9.47(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC1(CCN=C(S1)NC(=O)OC(C)(C)C)C2=CC(=C(C=C2F)F)Br

DOS

IR

Vibrations