Geometry & MOs

Info

ID:

409732

PubChem CID:

135082517

Reduced:

PO2C14H20 (1)

Stoich.:

AB2C14D20 (1)

Weight, g/mol:

522.063342

ΔHf, kcal/mol:

-58.01

Dipole, Da:

0.43

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.893005

Charge, e:

0

Chem-info

IUPAC name:

3-[[(3R,3aS,6R,6aS)-6-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@@H]([C@@H](P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C

DOS

IR

Vibrations