Geometry & MOs

Info

ID:	79869
PubChem CID:	49830932
Reduced:	ClSN4O4C15H17 (1)
Stoich.:	ABC4D4E15F17 (1)
Weight, g/mol:	413.02627
ΔH_f, kcal/mol:	-122.82
Dipole, Da:	2.71
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(carboxymethyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=N1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N)N)Cl

DOS

IR

Vibrations