Geometry & MOs

Info

ID:	448533
PubChem CID:	135291668
Reduced:	O2N3C26H43 (1)
Stoich.:	A2B3C26D43 (1)
Weight, g/mol:	416.227969
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	2.06
IP(EA), eV:	-8.08(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclononyltriazolidin-4-yl)-[(2S,4S)-2-methyl-4-methylsulfinothioyloxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2CCO[C@@H](C2)COC(C)(C)C3CN(NC3C4CC4)C(C)C

DOS

IR

Vibrations