Geometry & MOs

Info

ID:	64742
PubChem CID:	29203936
Reduced:	FN3O3C21H26 (1)
Stoich.:	AB3C3D21E26 (1)
Weight, g/mol:	481.123833
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	5.76
IP(EA), eV:	-8.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C3=CC=CC=C3F)C

DOS

IR

Vibrations