Geometry & MOs

Info

ID:

224491

PubChem CID:

85343985

Reduced:

SiN4O6C42H54 (1)

Stoich.:

AB4C6D42E54 (1)

Weight, g/mol:

746.263329

ΔHf, kcal/mol:

-264.96

Dipole, Da:

4.87

IP(EA), eV:

 -8.83(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CN(C1=O)CC(=O)NC(CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations