Geometry & MOs

Info

ID:	135989
PubChem CID:	51963573
Reduced:	ClSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	402.104301
ΔH_f, kcal/mol:	-6.28
Dipole, Da:	4.1
IP(EA), eV:	-9.04(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-8-chloroquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations