Geometry & MOs

Info

ID:

135990

PubChem CID:

51963574

Reduced:

ClSO2N3C20H21 (1)

Stoich.:

ABC2D3E20F21 (1)

Weight, g/mol:

401.096476

ΔHf, kcal/mol:

-3.36

Dipole, Da:

13.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.070105

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R)-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