Geometry & MOs

Info

ID:

392722

PubChem CID:

135017743

Reduced:

NSi2O7C29H61 (1)

Stoich.:

AB2C7D29E61 (1)

Weight, g/mol:

504.163162

ΔHf, kcal/mol:

-499.54

Dipole, Da:

2.45

IP(EA), eV:

 -8.85(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,5R,6S,12S,13S,16S,18S)-6,7-dihydroxy-5-(hydroxymethyl)-12-(4-hydroxyphenyl)-18-methyl-2,4,9,15,20-pentaoxahexacyclo[9.8.2.113,16.03,8.013,21.019,22]docosane-10,14-dione

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OC[C@H]1[C@@H]([C@H]([C@H](C(O1)O)NC(=O)OC(C)(C)C)O)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations