Geometry & MOs

Info

ID:	415058
PubChem CID:	135088044
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-21.5
Dipole, Da:	5.71
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(6-methylquinolin-8-yl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations