Geometry & MOs

Info

ID:	64686
PubChem CID:	29203856
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-132.82
Dipole, Da:	3.25
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations