Geometry & MOs

Info

ID:	391492
PubChem CID:	135005787
Reduced:	O3C15H28 (1)
Stoich.:	A3B15C28 (1)
Weight, g/mol:	270.165351
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	2.75
IP(EA), eV:	-10.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z,4S)-4-hexylsulfanylhepta-2,6-dienoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/CCCCCCCCO

DOS

IR

Vibrations