Geometry & MOs

Info

ID:

396213

PubChem CID:

135027727

Reduced:

SO8H34C38 (1)

Stoich.:

AB8C34D38 (1)

Weight, g/mol:

509.296135

ΔHf, kcal/mol:

-188.79

Dipole, Da:

12.86

IP(EA), eV:

 -8.68(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,6S,9R)-9-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-6-(3-hydroxypropyl)-7-oxa-1-azaspiro[4.4]nonan-8-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=C(C=C3CCC4=C(C3=C2)C(=C(C=C4)OC)OC5=CC(=O)OC=C5)OC)CC/C=C/S(=O)(=O)C6=CC=CC=C6

DOS

IR

Vibrations