Geometry & MOs

Info

ID:	340394
PubChem CID:	127262405
Reduced:	SO4C14H26 (1)
Stoich.:	AB4C14D26 (1)
Weight, g/mol:	144.078644
ΔH_f, kcal/mol:	-211.42
Dipole, Da:	2.94
IP(EA), eV:	-10.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-hydroxyprop-2-enyl] butanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)COS(=O)(=O)OCC2CCCCC2

DOS

IR

Vibrations