Geometry & MOs

Info

ID:	64204
PubChem CID:	29198307
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	442.216438
ΔH_f, kcal/mol:	-78.07
Dipole, Da:	7.02
IP(EA), eV:	-8.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCCCC4)C

DOS

IR

Vibrations