Geometry & MOs

Info

ID:	41220
PubChem CID:	8145488
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	397.203979
ΔH_f, kcal/mol:	-127.61
Dipole, Da:	12.96
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

DOS

IR

Vibrations