Geometry & MOs

Info

ID:

400325

PubChem CID:

135047597

Reduced:

CrPO9C31H31 (1)

Stoich.:

ABC9D31E31 (1)

Weight, g/mol:

554.070259

ΔHf, kcal/mol:

-187.37

Dipole, Da:

4.07

IP(EA), eV:

 -6.9(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6S,7R,8S,8aR)-6,7,8-trimethoxy-2-(2-phenylsulfanylphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;carbon monoxide;chromium

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H]([C@H](OC2[C@H]1O[C@@H](OC2)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)OC)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations