Geometry & MOs

Info

ID:	41181
PubChem CID:	8145411
Reduced:	FO2N4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	422.211804
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757066
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-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=CC5=C(CCC5)C=C4

DOS

IR

Vibrations