Geometry & MOs

Info

ID:	140849
PubChem CID:	52769393
Reduced:	FSN2O3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	434.167557
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	6.65
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC[C@@H](C3=CC(=CC=C3)F)O

DOS

IR

Vibrations