Geometry & MOs

Info

ID:

400324

PubChem CID:

135047590

Reduced:

MnPO4C13H21 (2)

Stoich.:

ABC4D13E21 (2)

Weight, g/mol:

630.111075

ΔHf, kcal/mol:

-143.26

Dipole, Da:

3.86

IP(EA), eV:

 -7.72(-2.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn]

DOS

IR

Vibrations