Geometry & MOs

Info

ID:	64360
PubChem CID:	29199312
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	449.201122
ΔH_f, kcal/mol:	15.56
Dipole, Da:	6.44
IP(EA), eV:	-8.41(-0.96)
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]naphthalene-1-sulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations