Geometry & MOs

Info

ID:

186076

PubChem CID:

77386915

Reduced:

ClF2O8C44H45 (1)

Stoich.:

AB2C8D44E45 (1)

Weight, g/mol:

474.125687

ΔHf, kcal/mol:

-320.98

Dipole, Da:

8.23

IP(EA), eV:

 -9.21(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-chloro-3-[(4-ethoxy-2,3-difluorophenyl)methyl]phenyl]-2,2-bis(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)(CO)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC)Cl)F)F

DOS

IR

Vibrations