Geometry & MOs

Info

ID:

392741

PubChem CID:

135017830

Reduced:

SiN2O9C36H40 (1)

Stoich.:

AB2C9D36E40 (1)

Weight, g/mol:

673.258132

ΔHf, kcal/mol:

-155.57

Dipole, Da:

5.45

IP(EA), eV:

 -8.93(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(5S,7R,9R)-5-ethyl-13-hydroxy-15,18-bis(methoxymethoxy)-20-oxo-7-(2,4,6-trimethylphenyl)-3-trimethylsilyloxy-6,8-dioxapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1,3,10,12,14,16,18-heptaene-11-diazonium

Drug info:

PubChemData

Smile

CC[C@]12C=C(C3=C([C@H]1O[C@H](O2)C4=C(C=C(C=C4C)C)C)C(=[N+]=[N-])C5=C3C(=O)C6=C(C=CC(=C6C5=O)OCOC)OCOC)O[Si](C)(C)C

DOS

IR

Vibrations