Geometry & MOs

Info

ID:	41150
PubChem CID:	8145362
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	429.250181
ΔH_f, kcal/mol:	17.12
Dipole, Da:	4.82
IP(EA), eV:	-8.66(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)OC(=N3)C4=CC=CC=C4C

DOS

IR

Vibrations