Geometry & MOs

Info

ID:	69149
PubChem CID:	46525573
Reduced:	SN2F3O3C22H23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	332.077262
ΔH_f, kcal/mol:	-253.14
Dipole, Da:	11.26
IP(EA), eV:	-9.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations