Geometry & MOs

Info

ID:	284916
PubChem CID:	104082645
Reduced:	SO2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	217.11365
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	3.22
IP(EA), eV:	-8.93(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiomorpholin-4-ylhexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)SC(C)C

DOS

IR

Vibrations