Geometry & MOs

Info

ID:	165600
PubChem CID:	74574223
Reduced:	N2O3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	360.174573
ΔH_f, kcal/mol:	-97.46
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752712
Charge, e:	1

Chem-info

IUPAC name:

3-benzyl-1-methyl-8-(thiolan-3-yl)-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations