Geometry & MOs

Info

ID:	41251
PubChem CID:	8145532
Reduced:	FO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	413.198894
ΔH_f, kcal/mol:	-93.16
Dipole, Da:	4.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757393
Charge, e:	1

Chem-info

IUPAC name:

(5R)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-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)OC

DOS

IR

Vibrations