Geometry & MOs

Info

ID:

45084

PubChem CID:

10507841

Reduced:

SiO3C39H58 (1)

Stoich.:

AB3C39D58 (1)

Weight, g/mol:

604.157895

ΔHf, kcal/mol:

-185.65

Dipole, Da:

5.24

IP(EA), eV:

 -8.96(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-2-(2,4-difluorophenyl)-3-[[2-[(E)-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

CCCCCCCCCC/C=C/CC/C=C\CC[C@H]([C@H]1CCC(=O)O1)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations