Geometry & MOs

Info

ID:	163714
PubChem CID:	58874569
Reduced:	N2F3O3H13C24 (1)
Stoich.:	A2B3C3D13E24 (1)
Weight, g/mol:	719.225247
ΔH_f, kcal/mol:	-87.37
Dipole, Da:	6.5
IP(EA), eV:	-9.35(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)phenyl]-N-[1-cyclohexyl-3-oxo-3-[(4-propan-2-ylphenyl)sulfonylamino]propyl]quinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)C#CC4=CC(=CC=C4)C(F)(F)F)C(=O)O

DOS

IR

Vibrations