Geometry & MOs

Info

ID:	40877
PubChem CID:	8144893
Reduced:	FSN3O4C19H25 (1)
Stoich.:	ABC3D4E19F25 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-131.26
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.804516
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)OC(=N2)[C@H](C)OC3=CC=CC=C3F

DOS

IR

Vibrations