Geometry & MOs

Info

ID:	230790
PubChem CID:	87572011
Reduced:	SO2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	174.107836
ΔH_f, kcal/mol:	-124.32
Dipole, Da:	3.86
IP(EA), eV:	-9.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylheptanethioic S-acid

Drug info:

PubChemData

Smile

CCCCC(CC)CSC(=O)O

DOS

IR

Vibrations