Geometry & MOs

Info

ID:	352391
PubChem CID:	127283478
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	9.18
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CS2)C(=O)C3=CC(=CC=C3)NC(=O)C4CCCO4

DOS

IR

Vibrations