Geometry & MOs

Info

ID:	41347
PubChem CID:	8145704
Reduced:	FS2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	403.214544
ΔH_f, kcal/mol:	60.85
Dipole, Da:	5.39
IP(EA), eV:	-8.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C=CCNC1=NN(C(=S)S1)CN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations