Geometry & MOs

Info

ID:	41221
PubChem CID:	8145489
Reduced:	FO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757109
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations