Geometry & MOs

Info

ID:	415694
PubChem CID:	135088694
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	331.108754
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	7.4
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@H]1O)CC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations