Geometry & MOs

Info

ID:	225870
PubChem CID:	87235856
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	208.005029
ΔH_f, kcal/mol:	11.87
Dipole, Da:	6.51
IP(EA), eV:	-8.81(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3,7-dimethyl-6-oxa-1,4,9-trithiaspiro[4.4]nonane

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)C(=O)NCC#N)C2=CC=CC=C2C3=CC(=CC=C3)N

DOS

IR

Vibrations