Geometry & MOs

Info

ID:

401711

PubChem CID:

135052204

Reduced:

CrFeP2Si3O7C30H48 (1)

Stoich.:

ABC2D3E7F30G48 (1)

Weight, g/mol:

340.051778

ΔHf, kcal/mol:

-649.49

Dipole, Da:

9.3

IP(EA), eV:

 -6.47(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 10-thia-3,4-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,7(11),8,12,14-heptaene-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C]1[CH][CH][C]([CH]1)C(C)(C)C.C[Si](C)(C)[C]1[C]([C]([P][P]1)O[Si](C)(C)C)O[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Fe]

DOS

IR

Vibrations