Geometry & MOs

Info

ID:	337916
PubChem CID:	127258539
Reduced:	SO3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	350.318481
ΔH_f, kcal/mol:	-129.4
Dipole, Da:	2.49
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9Z,12Z)-2-methyloctadeca-9,12-dienyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1=C(C=C(C=C1)SC)O

DOS

IR

Vibrations