Geometry & MOs

Info

ID:	64359
PubChem CID:	29199305
Reduced:	SO2N4C21H33 (1)
Stoich.:	AB2C4D21E33 (1)
Weight, g/mol:	448.193297
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752625
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]naphthalene-1-sulfonamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@@H](CNS(=O)(=O)C2CCCCC2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations