Geometry & MOs

Info

ID:	186924
PubChem CID:	77506068
Reduced:	SN3O7C16H19 (1)
Stoich.:	AB3C7D16E19 (1)
Weight, g/mol:	774.16655
ΔH_f, kcal/mol:	-243.15
Dipole, Da:	6.77
IP(EA), eV:	-9.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-ethoxyphenyl)-methylsulfamoyl]-4-oxo-3H-quinoline-3-carboxylic acid;6-[ethyl(phenyl)sulfamoyl]-4-oxo-3H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O

DOS

IR

Vibrations