Geometry & MOs

Info

ID:

219016

PubChem CID:

85090371

Reduced:

Si2O7C27H46 (1)

Stoich.:

A2B7C27D46 (1)

Weight, g/mol:

539.132865

ΔHf, kcal/mol:

-356.46

Dipole, Da:

3.16

IP(EA), eV:

 -8.82(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-hydroxy-4-(hydroxymethyl)-5-methoxy-17,19-dioxo-3-oxa-1,8,18-triazaoctacyclo[13.12.2.02,7.08,29.09,14.016,20.021,28.022,27]nonacosa-9(14),10,12,15,20,22(27),23,25,28-nonaene-12,24-dicarbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=C=C(OCC)O[Si](C)(C)C)C(C1C(O1)(C2=COC=C2)C(C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations