Geometry & MOs

Info

ID:	41239
PubChem CID:	8145514
Reduced:	FO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	397.203979
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757040
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[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