Geometry & MOs

Info

ID:	41350
PubChem CID:	8145707
Reduced:	NSO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	403.214544
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	5.2
IP(EA), eV:	-8.41(-0.12)
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,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NCCSCC2=CC=CO2)OC

DOS

IR

Vibrations