Geometry & MOs

Info

ID:	64739
PubChem CID:	29203932
Reduced:	FOSN3C24H28 (1)
Stoich.:	ABCD3E24F28 (1)
Weight, g/mol:	416.13184
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	4.15
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations