Geometry & MOs

Info

ID:	167030
PubChem CID:	74769627
Reduced:	ClN2O6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	342.09258
ΔH_f, kcal/mol:	-208.16
Dipole, Da:	5.67
IP(EA), eV:	-9.31(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=C(C=C2)OCC(=O)N)OC

DOS

IR

Vibrations