Geometry & MOs

Info

ID:

219830

PubChem CID:

85164940

Reduced:

BO6C38H41 (1)

Stoich.:

AB6C38D41 (1)

Weight, g/mol:

604.157895

ΔHf, kcal/mol:

-191.92

Dipole, Da:

4.69

IP(EA), eV:

 -8.99(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-3-[[2-[2-[6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-yl]ethenyl]-1,3-dioxan-5-yl]sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

B1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)C6CC6C7COC(O7)(C)C

DOS

IR

Vibrations