Geometry & MOs

Info

ID:	416690
PubChem CID:	135090119
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	331.14514
ΔH_f, kcal/mol:	-137.0
Dipole, Da:	7.98
IP(EA), eV:	-9.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(6-chloro-4-methylquinolin-2-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations