Geometry & MOs

Info

ID:	401056
PubChem CID:	135049940
Reduced:	SF3O3H13C14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	296.198759
ΔH_f, kcal/mol:	-250.78
Dipole, Da:	3.1
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-5-[1-(2-acetyloxyethyl)cyclohexyl]pent-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(CC(=O)C=C1C(F)(F)F)C2=CC=CS2

DOS

IR

Vibrations