Geometry & MOs

Info

ID:	64306
PubChem CID:	29199029
Reduced:	O3N6H24C26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	435.166629
ΔH_f, kcal/mol:	30.18
Dipole, Da:	4.37
IP(EA), eV:	-8.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,5-difluoro-N-[(2S)-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=CN(N=C3C4=CC=C(O4)C)C5=CC=CC=C5)C

DOS

IR

Vibrations