Geometry & MOs

Info

ID:

83876

PubChem CID:

49862092

Reduced:

SF3O3N5H26C30 (1)

Stoich.:

AB3C3D5E26F30 (1)

Weight, g/mol:

607.088861

ΔHf, kcal/mol:

-148.37

Dipole, Da:

3.0

IP(EA), eV:

 -8.75(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[6-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-2-(trifluoromethyl)pyridin-3-yl]-methylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=CC(=C4)C5=CC(=NC=C5)N6CCOCC6)C(=O)N

DOS

IR

Vibrations