Geometry & MOs

Info

ID:	37566
PubChem CID:	8022265
Reduced:	ClO4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	334.01635
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	3.65
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)COC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations