Geometry & MOs

Info

ID:

188115

PubChem CID:

77668192

Reduced:

FO3N6H37C38 (1)

Stoich.:

AB3C6D37E38 (1)

Weight, g/mol:

521.155134

ΔHf, kcal/mol:

-39.76

Dipole, Da:

7.06

IP(EA), eV:

 -9.2(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-(1-phenylethylsulfamoyl)-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)N(C4=CC=CC(=C4)C#N)C(=O)N)OC(=O)NC5=CC=CC(=C5)C#N

DOS

IR

Vibrations