Geometry & MOs

Info

ID:	319788
PubChem CID:	126657305
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	248.144616
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	3.12
IP(EA), eV:	-9.05(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-octyl-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

C/C(=C(\C=C/N=C)/C=O)/OC

DOS

IR

Vibrations