Geometry & MOs

Info

ID:	64744
PubChem CID:	29203939
Reduced:	ClFSN3O4C22H25 (1)
Stoich.:	ABCD3E4F22G25 (1)
Weight, g/mol:	481.123833
ΔH_f, kcal/mol:	-181.44
Dipole, Da:	4.11
IP(EA), eV:	-9.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations