Geometry & MOs

Info

ID:	79411
PubChem CID:	49748501
Reduced:	ClFN2S2O5H20C22 (1)
Stoich.:	ABC2D2E5F20G22 (1)
Weight, g/mol:	514.064412
ΔH_f, kcal/mol:	-184.7
Dipole, Da:	8.93
IP(EA), eV:	-8.65(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=C(C=C4)F)C=C2)Cl

DOS

IR

Vibrations