Geometry & MOs

Info

ID:	437343
PubChem CID:	135225801
Reduced:	SN3O5C28H31 (1)
Stoich.:	AB3C5D28E31 (1)
Weight, g/mol:	463.156577
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	7.02
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-methyl-6-(5-methylpyridin-2-yl)-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C2)C(=O)C(C(C3)(C)C)(C)C4=NC=C(C=C4)OC

DOS

IR

Vibrations