Geometry & MOs

Info

ID:	41553
PubChem CID:	8146272
Reduced:	ClN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	408.169009
ΔH_f, kcal/mol:	-176.35
Dipole, Da:	2.69
IP(EA), eV:	-9.25(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)CN2CCC[C@@H](C2)C(=O)OCC)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations