Geometry & MOs

Info

ID:	423218
PubChem CID:	135119131
Reduced:	ClFN3O4C17H19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	390.116877
ΔH_f, kcal/mol:	-145.13
Dipole, Da:	2.48
IP(EA), eV:	-9.52(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N2C[C@H]([C@@H](C2)F)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations