Geometry & MOs

Info

ID:	38768
PubChem CID:	8137894
Reduced:	ClSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	2.08
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations