Geometry & MOs

Info

ID:	57355
PubChem CID:	22395727
Reduced:	SO2C18H34 (1)
Stoich.:	AB2C18D34 (1)
Weight, g/mol:	314.227952
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	2.81
IP(EA), eV:	-8.48(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-12-pentylsulfanyldodec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCSC/C=C/CCCCCCCC(=O)OC

DOS

IR

Vibrations