Geometry & MOs

Info

ID:	186605
PubChem CID:	77452807
Reduced:	ClSN2F3O3H12C20 (1)
Stoich.:	ABC2D3E3F12G20 (1)
Weight, g/mol:	472.197377
ΔH_f, kcal/mol:	-154.43
Dipole, Da:	5.78
IP(EA), eV:	-9.46(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-8-(trifluoromethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1=COC=C1C2=CC(C3=NC(=CC(=O)C3=C2)C(=O)NCC4=CC=C(S4)Cl)C(F)(F)F

DOS

IR

Vibrations