Geometry & MOs

Info

ID:	85143
PubChem CID:	49872069
Reduced:	ClSN4O4C21H23 (1)
Stoich.:	ABC4D4E21F23 (1)
Weight, g/mol:	357.147727
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	5.61
IP(EA), eV:	-9.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-oxo-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NS(=O)(=O)C)Cl)C2=NOC(=N2)C3=CC(=NC(=C3)OC)C4CCCC4

DOS

IR

Vibrations