Geometry & MOs

Info

ID:	64178
PubChem CID:	29197829
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	442.216438
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	2.54
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(2-methylpropoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)CSC

DOS

IR

Vibrations