Geometry & MOs

Info

ID:	41472
PubChem CID:	8145934
Reduced:	SO3N4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	418.258006
ΔH_f, kcal/mol:	-3.36
Dipole, Da:	4.37
IP(EA), eV:	-8.95(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(5S)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations