Geometry & MOs

Info

ID:	404102
PubChem CID:	135064965
Reduced:	SO4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	324.136159
ΔH_f, kcal/mol:	-111.51
Dipole, Da:	6.31
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-oxo-6-phenylhex-5-en-3-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CS1)OC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations