Geometry & MOs

Info

ID:	403425
PubChem CID:	135060206
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	260.054087
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	5.6
IP(EA), eV:	-8.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-9-(prop-2-enoxymethyl)-8-oxa-1,4-dithiaspiro[4.5]decan-7-one

Drug info:

PubChemData

Smile

C1CCN2C3=CC=CC=C3C4=C2C(=CN(C4=O)C5CN6CCC5CC6)C1

DOS

IR

Vibrations