Geometry & MOs

Info

ID:

322054

PubChem CID:

126668434

Reduced:

SN2O4F8H16C26 (1)

Stoich.:

AB2C4D8E16F26 (1)

Weight, g/mol:

566.062047

ΔHf, kcal/mol:

-406.79

Dipole, Da:

8.93

IP(EA), eV:

 -9.11(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(2-methylsulfanylethyl)-4-(trifluoromethyl)phenyl]-7-(2,3,4,5,6-pentafluorophenoxy)sulfanyl-3,4-dihydro-2H-chromene

Drug info:

PubChemData

Smile

CN1C(CC=N1)C2=C(C=CC(=C2)C(F)(F)F)C3=CCOC4=C3C=CC(=C4)S(=O)(=O)OC5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations