Geometry & MOs

Info

ID:	230059
PubChem CID:	87569980
Reduced:	ClNSF6O11C36H36 (1)
Stoich.:	ABCD6E11F36G36 (1)
Weight, g/mol:	463.03691
ΔH_f, kcal/mol:	-714.29
Dipole, Da:	7.09
IP(EA), eV:	-10.27(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-quinolin-6-ylpyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COCCOCC1=C(C=CC(=N1)C(F)(F)F)C(=O)C2C(=O)C3CCC(C3)C2=O.CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F

DOS

IR

Vibrations