Geometry & MOs

Info

ID:	419225
PubChem CID:	135107768
Reduced:	ClNSO3C16H22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	348.135304
ΔH_f, kcal/mol:	-122.74
Dipole, Da:	5.44
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations