Geometry & MOs

Info

ID:	319828
PubChem CID:	126657362
Reduced:	O2F3N3C32H44 (1)
Stoich.:	A2B3C3D32E44 (1)
Weight, g/mol:	323.203134
ΔH_f, kcal/mol:	-245.82
Dipole, Da:	2.81
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(1-methylpiperidin-4-yl)-(5-methylpyridin-2-yl)methyl]butane-1-sulfinamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3CCCC(CCC3)C4CCCCCCCC(C4)C(=O)OC

DOS

IR

Vibrations