Geometry & MOs

Info

ID:	413018
PubChem CID:	135085962
Reduced:	SF2O3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-163.41
Dipole, Da:	6.47
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3-oxodec-9-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(F)F

DOS

IR

Vibrations