Geometry & MOs

Info

ID:	85425
PubChem CID:	49875016
Reduced:	OSCl2N2C17H20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	388.016319
ΔH_f, kcal/mol:	-44.92
Dipole, Da:	4.99
IP(EA), eV:	-8.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-N-[4-(quinolin-2-ylmethoxy)thiophen-2-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(SC(=C2)[NH3+])C(=O)C3=CC=C(C=C3)Cl.[Cl-]

DOS

IR

Vibrations