Geometry & MOs

Info

ID:	64750
PubChem CID:	29203947
Reduced:	FS2N3O5C21H26 (1)
Stoich.:	AB2C3D5E21F26 (1)
Weight, g/mol:	483.129791
ΔH_f, kcal/mol:	-200.33
Dipole, Da:	11.31
IP(EA), eV:	-9.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations