Geometry & MOs

Info

ID:	64310
PubChem CID:	29199040
Reduced:	ClO2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	417.17605
ΔH_f, kcal/mol:	16.48
Dipole, Da:	2.32
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-fluoro-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=C(N(N=C3C)CC4=CC=C(C=C4)C)Cl)C

DOS

IR

Vibrations