Geometry & MOs

Info

ID:	320685
PubChem CID:	126662521
Reduced:	ClNSO5F6H20C27 (1)
Stoich.:	ABCD5E6F20G27 (1)
Weight, g/mol:	385.059564
ΔH_f, kcal/mol:	-450.77
Dipole, Da:	6.78
IP(EA), eV:	-8.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(OC2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=C(C=C2)/C=C/C4=C(C=CC=C4Cl)C(F)(F)F)CCC(=O)O

DOS

IR

Vibrations