Geometry & MOs

Info

ID:	40381
PubChem CID:	8144020
Reduced:	SO2N4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	340.14613
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	4.51
IP(EA), eV:	-8.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC1=NC2=C(C(=C(S2)C)C3=CC=C(C=C3)C)C(=O)N1

DOS

IR

Vibrations