Geometry & MOs

Info

ID:

188113

PubChem CID:

77668190

Reduced:

FO3N6H37C38 (1)

Stoich.:

AB3C6D37E38 (1)

Weight, g/mol:

521.155134

ΔHf, kcal/mol:

-46.36

Dipole, Da:

3.65

IP(EA), eV:

 -9.27(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-6-[ethyl(phenyl)sulfamoyl]-8-fluoro-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CNC(CC1CC2=CC=C(C=C2)F)CC(C(CC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C#N)OC(=O)NC5=CC=CC(=C5)C#N

DOS

IR

Vibrations