Geometry & MOs

Info

ID:	135987
PubChem CID:	51963571
Reduced:	ClSO2N4C15H23 (1)
Stoich.:	ABC2D4E15F23 (1)
Weight, g/mol:	402.104301
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	3.21
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations