Geometry & MOs

Info

ID:	408995
PubChem CID:	135081768
Reduced:	PH2O5Cl12C19 (1)
Stoich.:	AB2C5D12E19 (1)
Weight, g/mol:	350.960246
ΔH_f, kcal/mol:	-234.44
Dipole, Da:	4.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.408559
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)O[P-]134(OC5=C(O3)C(=C(C(=C5Cl)Cl)Cl)Cl)OC6=C(O4)C(=C(C(=C6Cl)Cl)Cl)Cl

DOS

IR

Vibrations