Geometry & MOs

Info

ID:

384316

PubChem CID:

134976751

Reduced:

PCl8O10H24C26 (1)

Stoich.:

AB8C10D24E26 (1)

Weight, g/mol:

892.60105

ΔHf, kcal/mol:

-522.39

Dipole, Da:

4.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.331557

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CO[P-]23(OC[C@H]1C(=O)OC(C)(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