Geometry & MOs

Info

ID:	393491
PubChem CID:	135020756
Reduced:	AgPO4H29C44 (1)
Stoich.:	ABC4D29E44 (1)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	-130.14
Dipole, Da:	16.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.224954
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4S)-2-oxo-1-pentyl-4-propylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C5=C3O[P+](OC6=C5C7=CC=CC=C7C=C6C8=CC=C(C=C8)C9=CC=CC=C9)(O)[O-].[Ag+]

DOS

IR

Vibrations