Geometry & MOs

Info

ID:	166896
PubChem CID:	74750990
Reduced:	O2N5C31H35 (1)
Stoich.:	A2B5C31D35 (1)
Weight, g/mol:	470.191366
ΔH_f, kcal/mol:	8.47
Dipole, Da:	4.76
IP(EA), eV:	-8.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-4-ium-1-yl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations