Geometry & MOs

Info

ID:	437342
PubChem CID:	135225786
Reduced:	NO4H15C17 (2)
Stoich.:	AB4C15D17 (2)
Weight, g/mol:	521.198442
ΔH_f, kcal/mol:	-247.91
Dipole, Da:	3.01
IP(EA), eV:	-8.25(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylsulfonylphenyl)-N-[6-(5-methoxypyridin-2-yl)-6,7,7-trimethyl-5-oxo-8H-quinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(O)OC1=CC(=CC(=C1)C2=CC(=CN2)C3=CC(=CC=C3)C4=CNC(=C4)C5=CC(=CC(=C5)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations