Geometry & MOs

Info

ID:

220688

PubChem CID:

85202806

Reduced:

PSSi2O6N7C28H48 (1)

Stoich.:

ABC2D6E7F28G48 (1)

Weight, g/mol:

698.205814

ΔHf, kcal/mol:

-348.52

Dipole, Da:

5.06

IP(EA), eV:

 -8.87(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-ethenyl-1-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] 3-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)OP(=S)(OCCC#N)OCCC#N)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations