Geometry & MOs

Info

ID:	64319
PubChem CID:	29199069
Reduced:	SO2N4C26H37 (1)
Stoich.:	AB2C4D26E37 (1)
Weight, g/mol:	466.099703
ΔH_f, kcal/mol:	-22.1
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752225
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CC[NH+](CC4)C)C)C

DOS

IR

Vibrations