Geometry & MOs

Info

ID:	422079
PubChem CID:	135117141
Reduced:	S2O3N5C11H19 (1)
Stoich.:	A2B3C5D11E19 (1)
Weight, g/mol:	320.190006
ΔH_f, kcal/mol:	-84.58
Dipole, Da:	5.68
IP(EA), eV:	-9.02(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(4-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)N2CCC(CC2)NS(=O)(=O)C

DOS

IR

Vibrations