Geometry & MOs

Info

ID:

41311

PubChem CID:

8145644

Reduced:

FSN5C20H23 (1)

Stoich.:

ABC5D20E23 (1)

Weight, g/mol:

397.167594

ΔHf, kcal/mol:

79.2

Dipole, Da:

9.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.947848

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations