Geometry & MOs

Info

ID:	40514
PubChem CID:	8144257
Reduced:	SN3O3H17C22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	385.223966
ΔH_f, kcal/mol:	13.53
Dipole, Da:	2.27
IP(EA), eV:	-8.64(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=CO2)NCC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

DOS

IR

Vibrations