Geometry & MOs

Info

ID:	422044
PubChem CID:	135117078
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	409.155705
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	3.56
IP(EA), eV:	-9.47(-1.11)
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-chlorocarbazol-9-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=C(C=C3)SC=N4)C(=O)O

DOS

IR

Vibrations