Geometry & MOs

Info

ID:	183850
PubChem CID:	77081296
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	5.83
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(2-aminopyridin-3-yl)methyl]-3,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=NC=NC=C3

DOS

IR

Vibrations