Geometry & MOs

Info

ID:	78913
PubChem CID:	49742697
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	4.52
IP(EA), eV:	-8.85(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)NC2=C1C=CC(=C2)NC(=O)CSC3CCCC3

DOS

IR

Vibrations