Geometry & MOs

Info

ID:	352394
PubChem CID:	127283481
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-75.73
Dipole, Da:	5.62
IP(EA), eV:	-9.45(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)N3CCCCC3C4=NC=CS4

DOS

IR

Vibrations