Geometry & MOs

Info

ID:	192050
PubChem CID:	78220627
Reduced:	FSN2O4C26H33 (1)
Stoich.:	ABC2D4E26F33 (1)
Weight, g/mol:	486.255229
ΔH_f, kcal/mol:	-200.14
Dipole, Da:	3.66
IP(EA), eV:	-9.39(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)CC(C(=O)N2)CN(CC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations