Geometry & MOs

Info

ID:	64394
PubChem CID:	29199479
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	475.216772
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	7.48
IP(EA), eV:	-8.26(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OC)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations