Geometry & MOs

Info

ID:

389157

PubChem CID:

134991371

Reduced:

P2O6H38C43 (1)

Stoich.:

A2B6C38D43 (1)

Weight, g/mol:

824.339563

ΔHf, kcal/mol:

-150.38

Dipole, Da:

4.61

IP(EA), eV:

 -9.02(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aR,6S,7S,8S,8aR)-7,8-bis[bis(2,6-dimethylphenyl)phosphoryl]-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)O[C@@H](O1)C8=CC=CC=C8

DOS

IR

Vibrations