Geometry & MOs

Info

ID:	41355
PubChem CID:	8145713
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	402.206719
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	3.01
IP(EA), eV:	-8.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2CCCN2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC

DOS

IR

Vibrations