Geometry & MOs

Info

ID:	135988
PubChem CID:	51963572
Reduced:	ClSO2N3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	401.096476
ΔH_f, kcal/mol:	0.18
Dipole, Da:	19.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.062667
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](C[C@H]1NS(=O)(=O)C2=C3C=CC=NC3=C(C=C2)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations