Geometry & MOs

Info

ID:	41193
PubChem CID:	8145429
Reduced:	FS2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	358.136708
ΔH_f, kcal/mol:	63.97
Dipole, Da:	4.58
IP(EA), eV:	-8.37(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-fluoro-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations