Geometry & MOs

Info

ID:	355030
PubChem CID:	127287891
Reduced:	SO3N4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	0.91
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations