Geometry & MOs

Info

ID:	337910
PubChem CID:	127258533
Reduced:	OC3H6 (3)
Stoich.:	AB3C6 (3)
Weight, g/mol:	220.113316
ΔH_f, kcal/mol:	-171.03
Dipole, Da:	3.89
IP(EA), eV:	-10.32(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-methyl-4-methylsulfanylbutyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C(C)C)O

DOS

IR

Vibrations