Geometry & MOs

Info

ID:

226300

PubChem CID:

87350386

Reduced:

SN3F4O4H13C18 (1)

Stoich.:

AB3C4D4E13F18 (1)

Weight, g/mol:

460.042866

ΔHf, kcal/mol:

-245.8

Dipole, Da:

7.86

IP(EA), eV:

 -9.05(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,7,10-trifluoro-15-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-4,5,15-triazatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9(14),10,12-pentaene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N2C=CC(=C2)ONC(=O)NC3=CC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations