Geometry & MOs

Info

ID:	403426
PubChem CID:	135060210
Reduced:	S2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	208.02406
ΔH_f, kcal/mol:	-114.36
Dipole, Da:	5.31
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=CCOC[C@H]1CC2(CC(=O)O1)SCCS2

DOS

IR

Vibrations