Geometry & MOs

Info

ID:	64373
PubChem CID:	29199372
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	484.238236
ΔH_f, kcal/mol:	38.62
Dipole, Da:	2.96
IP(EA), eV:	-8.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]sulfamoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations