Geometry & MOs

Info

ID:	423699
PubChem CID:	135120046
Reduced:	SN3O5C11H17 (1)
Stoich.:	AB3C5D11E17 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-138.27
Dipole, Da:	5.57
IP(EA), eV:	-9.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(3-methoxyphenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NOC=C2

DOS

IR

Vibrations