Geometry & MOs

Info

ID:	9149
PubChem CID:	86613
Reduced:	BrPCl2O4C12H14 (1)
Stoich.:	ABC2D4E12F14 (1)
Weight, g/mol:	401.91901
ΔH_f, kcal/mol:	-226.93
Dipole, Da:	2.41
IP(EA), eV:	-9.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromo-5-chlorophenyl)-2-chloroethenyl] diethyl phosphate

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC(=CCl)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations