Geometry & MOs

Info

ID:	398437
PubChem CID:	135033295
Reduced:	BrOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	271.036188
ΔH_f, kcal/mol:	-16.1
Dipole, Da:	2.43
IP(EA), eV:	-8.7(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8S)-7-(hydroxymethyl)-2,2-dioxo-3,6-dioxa-2lambda6-thia-1-azaspiro[4.5]decane-8,9,10-triol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CCCC=C2Br

DOS

IR

Vibrations