Geometry & MOs

Info

ID:	403974
PubChem CID:	135063707
Reduced:	SN3O4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	428.256274
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	9.14
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,3S,5E)-1-[3-(8-methoxy-8-oxooctyl)oxiran-2-yl]octa-1,5-dien-3-yl] benzoate

Drug info:

PubChemData

Smile

COC(=O)CN(C1=CC=CC=C1/C=C/C#N)S(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations