Geometry & MOs

Info

ID:	448544
PubChem CID:	135291747
Reduced:	SO4N7C25H31 (1)
Stoich.:	AB4C7D25E31 (1)
Weight, g/mol:	272.190006
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	6.0
IP(EA), eV:	-8.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=NC(=N3)C4=CC(=C(C=C4)OC5CCOCC5)N

DOS

IR

Vibrations