Geometry & MOs

Info

ID:	64344
PubChem CID:	29199209
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	443.211687
ΔH_f, kcal/mol:	-7.76
Dipole, Da:	5.02
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC=CC=C2)Cl

DOS

IR

Vibrations