Geometry & MOs

Info

ID:	41499
PubChem CID:	8145989
Reduced:	SO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	4.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.808412
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C(=S)N(C=N2)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations