Geometry & MOs

Info

ID:	140182
PubChem CID:	52659090
Reduced:	ClFN2S2O5C18H18 (1)
Stoich.:	ABC2D2E5F18G18 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-216.26
Dipole, Da:	5.27
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-2-phenoxypropanamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations