Geometry & MOs

Info

ID:	64746
PubChem CID:	29203941
Reduced:	FSN3O5C23H28 (1)
Stoich.:	ABC3D5E23F28 (1)
Weight, g/mol:	477.17337
ΔH_f, kcal/mol:	-209.02
Dipole, Da:	4.54
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations