Geometry & MOs

Info

ID:	64197
PubChem CID:	29198232
Reduced:	ClFO2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	404.146644
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	4.09
IP(EA), eV:	-9.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethyl]-5-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=NO1)C2=CC=CC=C2Cl)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations