Geometry & MOs

Info

ID:	41240
PubChem CID:	8145516
Reduced:	FO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	397.203979
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758776
Charge, e:	1

Chem-info

IUPAC name:

(5R)-5-ethyl-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations