Geometry & MOs

Info

ID:	418057
PubChem CID:	135103443
Reduced:	S2O3N4C13H18 (1)
Stoich.:	A2B3C4D13E18 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	4.32
IP(EA), eV:	-8.64(-0.75)
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-methylquinoline-8-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC2=NC=NC3=C2SC=C3

DOS

IR

Vibrations