Geometry & MOs

Info

ID:	379888
PubChem CID:	134963696
Reduced:	ClO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	298.087495
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	2.57
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-methyl-3-(4-methylphenyl)sulfonyloxybut-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C(/CCCCl)\C#CC1=CC=CC=C1

DOS

IR

Vibrations