Geometry & MOs

Info

ID:	188299
PubChem CID:	77695450
Reduced:	SN2F3O4C24H27 (1)
Stoich.:	AB2C3D4E24F27 (1)
Weight, g/mol:	464.213364
ΔH_f, kcal/mol:	-304.11
Dipole, Da:	7.77
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-benzyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-6-yl)prop-2-ynyl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1CC(C(=O)NC1C)C(=O)N(CC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations