Geometry & MOs

Info

ID:	64328
PubChem CID:	29199135
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	433.1465
ΔH_f, kcal/mol:	14.36
Dipole, Da:	4.25
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-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(C4=CC=CC=C43)C)C

DOS

IR

Vibrations