Geometry & MOs

Info

ID:	192049
PubChem CID:	78220626
Reduced:	SN2O6C27H34 (1)
Stoich.:	AB2C6D27E34 (1)
Weight, g/mol:	488.214507
ΔH_f, kcal/mol:	-212.69
Dipole, Da:	5.99
IP(EA), eV:	-8.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=O)NC2C1C)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations