Geometry & MOs

Info

ID:	249543
PubChem CID:	103090360
Reduced:	SO3C10H20 (1)
Stoich.:	AB3C10D20 (1)
Weight, g/mol:	248.144616
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	2.34
IP(EA), eV:	-8.65(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxy-6-methylsulfanyl-2-propylhexanoate

Drug info:

PubChemData

Smile

CCCC(C(CCCSC)O)C(=O)O

DOS

IR

Vibrations