Geometry & MOs

Info

ID:	64340
PubChem CID:	29199190
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	20.13
Dipole, Da:	4.63
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations