Geometry & MOs

Info

ID:	419767
PubChem CID:	135109004
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	2.28
IP(EA), eV:	-9.23(-0.66)
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]-N-methyl-2-(methylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NS(=O)(=O)N)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations