Geometry & MOs

Info

ID:	41180
PubChem CID:	8145408
Reduced:	SO2N6H16C20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	423.219629
ΔH_f, kcal/mol:	88.93
Dipole, Da:	6.14
IP(EA), eV:	-9.05(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-(2,3-dihydro-1H-inden-5-yl)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4)C

DOS

IR

Vibrations