Geometry & MOs

Info

ID:	40949
PubChem CID:	8145005
Reduced:	SN2O3C19H30 (1)
Stoich.:	AB2C3D19E30 (1)
Weight, g/mol:	408.169009
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	3.47
IP(EA), eV:	-9.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[(4R)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@@H](C2)C)C

DOS

IR

Vibrations