Geometry & MOs

Info

ID:	337942
PubChem CID:	127258565
Reduced:	NSO7C16H21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	352.297745
ΔH_f, kcal/mol:	-279.93
Dipole, Da:	3.21
IP(EA), eV:	-9.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-oxooctadec-9-enyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)[C@@]1(C(C(CN1)OS(=O)(=O)C2=CC=CC=C2)O)C

DOS

IR

Vibrations