Geometry & MOs

Info

ID:

380645

PubChem CID:

134971157

Reduced:

SiN3O6C21H31 (1)

Stoich.:

AB3C6D21E31 (1)

Weight, g/mol:

1515.897421

ΔHf, kcal/mol:

-242.72

Dipole, Da:

2.94

IP(EA), eV:

 -8.93(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,3S,5R,6R,9R,13R,17S,18S,19R,20S,21E,23E,25E,27E,29E,31E,33E,35R,37S,38S,39S)-35-[[(3aR,5R,6S,7R,7aR)-7-azido-6-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-2-yl]oxy]-3,19,39-tris[[tert-butyl(dimethyl)silyl]oxy]-5,6-dihydroxy-1-methoxy-11,11,17,18,20-pentamethyl-15-oxo-10,12,16,41-tetraoxatricyclo[35.3.1.19,13]dotetraconta-21,23,25,27,29,31,33-heptaene-38-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C2=CC=CC=C2)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations