Geometry & MOs

Info

ID:	337909
PubChem CID:	127258532
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	174.125594
ΔH_f, kcal/mol:	-134.96
Dipole, Da:	2.25
IP(EA), eV:	-8.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-methylbutyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC[C@@H]([C@H](C)SC1=CC=CC=C1)O

DOS

IR

Vibrations