Geometry & MOs

Info

ID:	124832
PubChem CID:	50897761
Reduced:	ClSN3O3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	451.192963
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	13.0
IP(EA), eV:	-8.38(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-tert-butyl-2-methylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations