Geometry & MOs

Info

ID:	337808
PubChem CID:	127258431
Reduced:	OSC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	218.024895
ΔH_f, kcal/mol:	-86.79
Dipole, Da:	3.21
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-hydroxy-2,5-dioxooxolan-3-yl) butanethioate

Drug info:

PubChemData

Smile

CCCCCC(C)CCOC(=S)CCC

DOS

IR

Vibrations