Geometry & MOs

Info

ID:	422617
PubChem CID:	135118146
Reduced:	FSN2O3C17H25 (1)
Stoich.:	ABC2D3E17F25 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-169.07
Dipole, Da:	5.87
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(6-chloro-8-methylquinolin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)F

DOS

IR

Vibrations