Geometry & MOs

Info

ID:	392809
PubChem CID:	135018029
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	539.05144
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	2.87
IP(EA), eV:	-7.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-1-methyl-2-oxoquinolin-6-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CCC1(C=CC2=C(O1)C3=C(C=C2)C4=C(N3)C=C(C(=C4)C)OC)C

DOS

IR

Vibrations