Geometry & MOs

Info

ID:

219539

PubChem CID:

85149152

Reduced:

ClN2F4O6H17C26 (1)

Stoich.:

AB2C4D6E17F26 (1)

Weight, g/mol:

564.366628

ΔHf, kcal/mol:

-305.65

Dipole, Da:

7.53

IP(EA), eV:

-9.21(-1.71)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-6-[2-[7-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]oxan-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C3=NOC4=C3C=CC(=C4)Cl)C=CC(=C2)OC(F)(F)F)OC5=C(C=CC(=C5)OC(C)C(=O)O)F

DOS

IR

Vibrations