Geometry & MOs

Info

ID:

322132

PubChem CID:

126668784

Reduced:

SO4F9H19C26 (1)

Stoich.:

AB4C9D19E26 (1)

Weight, g/mol:

700.116585

ΔHf, kcal/mol:

-534.21

Dipole, Da:

9.43

IP(EA), eV:

 -9.72(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[2-[(4R)-7-(2,3,4,5,6-pentafluorophenoxy)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)phenyl]benzoate

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)CCCCF)C=CC(=C2)S(=O)(=O)OC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations