Geometry & MOs

Info

ID:	134368
PubChem CID:	51686515
Reduced:	FSN3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	-2.92
Dipole, Da:	3.36
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-phenyl-N-[1-(phenylcarbamothioyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

C1C[C@H]2CC(C[C@@H]1N2C3CC3)NC(=S)NC4=CC=C(C=C4)F

DOS

IR

Vibrations