Geometry & MOs

Info

ID:	140016
PubChem CID:	52631142
Reduced:	FO3N4C22H33 (1)
Stoich.:	AB3C4D22E33 (1)
Weight, g/mol:	421.261494
ΔH_f, kcal/mol:	-177.51
Dipole, Da:	4.54
IP(EA), eV:	-8.58(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[[2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-(2-methylpropyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC(C)C)C(=O)CN1C(=O)[C@@](NC1=O)(C)C2=CC=C(C=C2)F

DOS

IR

Vibrations