Geometry & MOs

Info

ID:

384314

PubChem CID:

134976749

Reduced:

PCl8O10H20C24 (1)

Stoich.:

AB8C10D20E24 (1)

Weight, g/mol:

856.921305

ΔHf, kcal/mol:

-494.9

Dipole, Da:

4.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.307164

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)OC(=O)[C@@H]1CO[P-]23(OC[C@H]1C(=O)OC(C)C)(OC4=C(O2)C(=C(C(=C4Cl)Cl)Cl)Cl)OC5=C(O3)C(=C(C(=C5Cl)Cl)Cl)Cl

DOS

IR

Vibrations